data_04src0553
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C37 H60 Cl Fe O4 P2 Rh'
_chemical_formula_weight          825.00
 
loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'C'  'C'   0.0033   0.0016
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H'  'H'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P'  'P'   0.1023   0.0942
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Cl'  'Cl'   0.1484   0.1585
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Fe'  'Fe'   0.3463   0.8444
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Rh'  'Rh'  -1.1178   0.9187
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_symmetry_cell_setting            Orthorhombic
_symmetry_space_group_name_H-M    Pbca
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x+1/2, -y, z+1/2'
 '-x, y+1/2, -z+1/2'
 'x+1/2, -y+1/2, -z'
 '-x, -y, -z'
 'x-1/2, y, -z-1/2'
 'x, -y-1/2, z-1/2'
 '-x-1/2, y-1/2, z'
 
_cell_length_a                    16.8121(12)
_cell_length_b                    19.229(2)
_cell_length_c                    22.968(3)
_cell_angle_alpha                 90.00
_cell_angle_beta                  90.00
_cell_angle_gamma                 90.00
_cell_volume                      7425.3(14)
_cell_formula_units_Z             8
_cell_measurement_temperature     120(2)
_cell_measurement_reflns_used     8772
_cell_measurement_theta_min       2.91
_cell_measurement_theta_max       27.48
 
_exptl_crystal_description        block
_exptl_crystal_colour             orange
_exptl_crystal_size_max           0.35
_exptl_crystal_size_mid           0.30
_exptl_crystal_size_min           0.25
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.476
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              3456
_exptl_absorpt_coefficient_mu     1.031
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.7142
_exptl_absorpt_correction_T_max   0.7826
_exptl_absorpt_process_details    'SADABS V2.10 (Sheldrick, G.M., 2003)'
 
_exptl_special_details
;
 ?
;
 
_diffrn_ambient_temperature       120(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device_type   'Bruker-Nonius KappaCCD Area Detector'
_diffrn_measurement_method        'φ and ω scans'
_diffrn_detector_area_resol_mean  9.091
_diffrn_standards_decay_%         negligible
_diffrn_reflns_number             43259
_diffrn_reflns_av_R_equivalents   0.0377
_diffrn_reflns_av_sigmaI/netI     0.0332
_diffrn_reflns_limit_h_min        -21
_diffrn_reflns_limit_h_max        20
_diffrn_reflns_limit_k_min        -24
_diffrn_reflns_limit_k_max        20
_diffrn_reflns_limit_l_min        -29
_diffrn_reflns_limit_l_max        29
_diffrn_reflns_theta_min          3.11
_diffrn_reflns_theta_max          27.50
_reflns_number_total              8466
_reflns_number_gt                 6749
_reflns_threshold_expression      >2sigma(I)
 
_computing_data_collection        
'DENZO (Otwinowski & Minor) & COLLECT (Hooft, 1998)'
_computing_cell_refinement        'DENZO, COLLECT'
_computing_data_reduction         'DENZO, COLLECT'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     'PLATON (Spek, 1990)'
_computing_publication_material   ?
 
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
 
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
 'calc w=1/[σ²(Fo²)+(0.0577P)²+5.2245P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     mixed
_refine_ls_extinction_method      SHELXL
_refine_ls_extinction_coef        0.00039(11)
_refine_ls_extinction_expression
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_number_reflns          8466
_refine_ls_number_parameters      448
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0491
_refine_ls_R_factor_gt            0.0340
_refine_ls_wR_factor_ref          0.1007
_refine_ls_wR_factor_gt           0.0902
_refine_ls_goodness_of_fit_ref    1.039
_refine_ls_restrained_S_all       1.039
_refine_ls_shift/su_max           0.030
_refine_ls_shift/su_mean          0.001
 
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_symmetry_multiplicity
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
C31 C 0.54132(18) 0.16182(19) 0.50311(12) 0.0388(8) Uani 1 1 d . . .
C32 C 0.58149(18) 0.22284(18) 0.51233(12) 0.0337(7) Uani 1 1 d . . .
C33 C 0.63246(19) 0.21230(19) 0.56630(13) 0.0383(7) Uani 1 1 d . . .
H33 H 0.6527 0.2549 0.5864 0.046 Uiso 1 1 calc R . .
C34 C 0.6937(2) 0.16168(19) 0.54279(12) 0.0388(8) Uani 1 1 d . . .
C35 C 0.6561(2) 0.1002(2) 0.53413(13) 0.0447(9) Uani 1 1 d . . .
C36 C 0.5682(2) 0.1120(2) 0.55076(13) 0.0470(9) Uani 1 1 d . . .
H36 H 0.5348 0.0698 0.5578 0.056 Uiso 1 1 calc R . .
C37 C 0.5793(2) 0.16281(19) 0.60199(13) 0.0481(9) Uani 1 1 d . . .
H37A H 0.6072 0.1417 0.6356 0.058 Uiso 1 1 calc R . .
H37B H 0.5289 0.1846 0.6148 0.058 Uiso 1 1 calc R . .
O1 O 0.36248(14) 0.13251(18) 0.47742(11) 0.0636(8) Uani 1 1 d . . .
O2 O 0.29329(17) 0.1727(2) 0.39765(16) 0.1123(17) Uani 1 1 d . . .
O3 O 0.2906(2) 0.0603(2) 0.4193(2) 0.1307(19) Uani 1 1 d . . .
O4 O 0.22394(15) 0.13269(19) 0.47859(13) 0.0736(9) Uani 1 1 d . . .
H31 H 0.494(2) 0.1540(17) 0.4811(16) 0.045(10) Uiso 1 1 d . . .
H32 H 0.566(2) 0.2672(19) 0.4962(15) 0.047(10) Uiso 1 1 d . . .
H34 H 0.751(2) 0.1707(16) 0.5465(13) 0.036(9) Uiso 1 1 d . . .
H35 H 0.672(2) 0.0598(19) 0.5293(15) 0.038(10) Uiso 1 1 d . . .
C1 C 0.58814(13) 0.13548(12) 0.30392(10) 0.0146(4) Uani 1 1 d . . .
C2 C 0.54080(13) 0.07317(12) 0.31002(11) 0.0176(5) Uani 1 1 d . . .
C3 C 0.49408(15) 0.04995(13) 0.36190(12) 0.0236(5) Uani 1 1 d . . .
H3A H 0.4404 0.0696 0.3600 0.035 Uiso 1 1 calc R . .
H3B H 0.5205 0.0660 0.3975 0.035 Uiso 1 1 calc R . .
H3C H 0.4908 -0.0009 0.3622 0.035 Uiso 1 1 calc R . .
C4 C 0.54269(14) 0.03714(14) 0.25515(12) 0.0226(5) Uani 1 1 d . . .
C5 C 0.49903(16) -0.02901(15) 0.24156(15) 0.0353(7) Uani 1 1 d . . .
H5A H 0.4479 -0.0179 0.2233 0.053 Uiso 1 1 calc R . .
H5B H 0.4898 -0.0550 0.2776 0.053 Uiso 1 1 calc R . .
H5C H 0.5309 -0.0573 0.2148 0.053 Uiso 1 1 calc R . .
C6 C 0.59012(14) 0.07578(14) 0.21579(11) 0.0224(5) Uani 1 1 d . . .
C7 C 0.60551(17) 0.05732(18) 0.15324(12) 0.0360(7) Uani 1 1 d . . .
H7A H 0.5940 0.0079 0.1471 0.054 Uiso 1 1 calc R . .
H7B H 0.6614 0.0666 0.1438 0.054 Uiso 1 1 calc R . .
H7C H 0.5712 0.0854 0.1280 0.054 Uiso 1 1 calc R . .
C8 C 0.61871(14) 0.13638(14) 0.24455(10) 0.0188(5) Uani 1 1 d . . .
C9 C 0.66790(17) 0.18992(15) 0.21342(12) 0.0283(6) Uani 1 1 d . . .
H9A H 0.7014 0.1670 0.1843 0.043 Uiso 1 1 calc R . .
H9B H 0.7017 0.2143 0.2416 0.043 Uiso 1 1 calc R . .
H9C H 0.6327 0.2234 0.1941 0.043 Uiso 1 1 calc R . .
C10 C 0.74750(13) 0.05162(12) 0.34621(10) 0.0164(5) Uani 1 1 d . . .
C11 C 0.77693(14) 0.04941(13) 0.28672(11) 0.0198(5) Uani 1 1 d . . .
C12 C 0.82758(15) 0.10024(16) 0.25410(12) 0.0284(6) Uani 1 1 d . . .
H12A H 0.8831 0.0846 0.2548 0.043 Uiso 1 1 calc R . .
H12B H 0.8236 0.1461 0.2725 0.043 Uiso 1 1 calc R . .
H12C H 0.8092 0.1033 0.2137 0.043 Uiso 1 1 calc R . .
C13 C 0.74758(15) -0.01287(13) 0.26030(11) 0.0213(5) Uani 1 1 d . . .
C14 C 0.76717(18) -0.03763(17) 0.19995(12) 0.0340(7) Uani 1 1 d . . .
H14A H 0.8173 -0.0637 0.2007 0.051 Uiso 1 1 calc R . .
H14B H 0.7726 0.0025 0.1739 0.051 Uiso 1 1 calc R . .
H14C H 0.7244 -0.0679 0.1858 0.051 Uiso 1 1 calc R . .
C15 C 0.70009(15) -0.04944(12) 0.30198(11) 0.0206(5) Uani 1 1 d . . .
C16 C 0.66058(18) -0.11851(15) 0.29265(13) 0.0316(6) Uani 1 1 d . . .
H16A H 0.6961 -0.1558 0.3058 0.047 Uiso 1 1 calc R . .
H16B H 0.6490 -0.1246 0.2512 0.047 Uiso 1 1 calc R . .
H16C H 0.6109 -0.1203 0.3149 0.047 Uiso 1 1 calc R . .
C17 C 0.69925(14) -0.01000(12) 0.35479(10) 0.0171(5) Uani 1 1 d . . .
C18 C 0.65875(16) -0.03279(14) 0.40953(11) 0.0246(6) Uani 1 1 d . . .
H18A H 0.6116 -0.0603 0.3997 0.037 Uiso 1 1 calc R . .
H18B H 0.6427 0.0082 0.4320 0.037 Uiso 1 1 calc R . .
H18C H 0.6954 -0.0611 0.4327 0.037 Uiso 1 1 calc R . .
C19 C 0.48348(14) 0.22261(13) 0.36577(11) 0.0207(5) Uani 1 1 d . . .
H19 H 0.4560 0.1826 0.3851 0.025 Uiso 1 1 calc R . .
C20 C 0.44407(16) 0.22917(15) 0.30588(12) 0.0273(6) Uani 1 1 d . . .
H20A H 0.3861 0.2292 0.3105 0.041 Uiso 1 1 calc R . .
H20B H 0.4599 0.1898 0.2814 0.041 Uiso 1 1 calc R . .
H20C H 0.4610 0.2727 0.2874 0.041 Uiso 1 1 calc R . .
C21 C 0.46112(17) 0.28648(15) 0.40214(13) 0.0324(7) Uani 1 1 d . . .
H21A H 0.4814 0.3285 0.3831 0.049 Uiso 1 1 calc R . .
H21B H 0.4846 0.2824 0.4410 0.049 Uiso 1 1 calc R . .
H21C H 0.4031 0.2894 0.4055 0.049 Uiso 1 1 calc R . .
C22 C 0.64738(14) 0.27601(13) 0.34036(12) 0.0224(5) Uani 1 1 d . . .
H22 H 0.6997 0.2595 0.3249 0.027 Uiso 1 1 calc R . .
C23 C 0.61025(17) 0.32125(15) 0.29300(14) 0.0329(7) Uani 1 1 d . . .
H23A H 0.5650 0.3469 0.3092 0.049 Uiso 1 1 calc R . .
H23B H 0.5919 0.2917 0.2610 0.049 Uiso 1 1 calc R . .
H23C H 0.6500 0.3542 0.2784 0.049 Uiso 1 1 calc R . .
C24 C 0.66555(19) 0.32150(15) 0.39343(15) 0.0353(7) Uani 1 1 d . . .
H24A H 0.7028 0.3584 0.3823 0.053 Uiso 1 1 calc R . .
H24B H 0.6893 0.2929 0.4241 0.053 Uiso 1 1 calc R . .
H24C H 0.6161 0.3424 0.4078 0.053 Uiso 1 1 calc R . .
C25 C 0.82485(18) 0.04552(15) 0.45527(12) 0.0293(6) Uani 1 1 d . . .
H25 H 0.7842 0.0141 0.4731 0.035 Uiso 1 1 calc R . .
C26 C 0.8700(2) 0.07781(19) 0.50673(15) 0.0487(9) Uani 1 1 d . . .
H26A H 0.8871 0.0409 0.5334 0.073 Uiso 1 1 calc R . .
H26B H 0.8350 0.1102 0.5274 0.073 Uiso 1 1 calc R . .
H26C H 0.9167 0.1029 0.4922 0.073 Uiso 1 1 calc R . .
C27 C 0.88157(18) -0.00231(15) 0.42217(14) 0.0368(7) Uani 1 1 d . . .
H27A H 0.9284 0.0242 0.4097 0.055 Uiso 1 1 calc R . .
H27B H 0.8544 -0.0213 0.3879 0.055 Uiso 1 1 calc R . .
H27C H 0.8983 -0.0405 0.4476 0.055 Uiso 1 1 calc R . .
C28 C 0.83687(15) 0.17819(14) 0.38687(13) 0.0267(6) Uani 1 1 d . . .
H28 H 0.8125 0.2017 0.3524 0.032 Uiso 1 1 calc R . .
C29 C 0.92111(16) 0.15656(16) 0.36846(16) 0.0375(7) Uani 1 1 d . . .
H29A H 0.9464 0.1949 0.3472 0.056 Uiso 1 1 calc R . .
H29B H 0.9181 0.1155 0.3432 0.056 Uiso 1 1 calc R . .
H29C H 0.9526 0.1455 0.4031 0.056 Uiso 1 1 calc R . .
C30 C 0.84313(17) 0.23376(16) 0.43498(16) 0.0379(7) Uani 1 1 d . . .
H30A H 0.8773 0.2165 0.4664 0.057 Uiso 1 1 calc R . .
H30B H 0.7900 0.2437 0.4504 0.057 Uiso 1 1 calc R . .
H30C H 0.8661 0.2764 0.4187 0.057 Uiso 1 1 calc R . .
P1 P 0.59170(3) 0.19770(3) 0.36370(3) 0.01451(13) Uani 1 1 d . . .
P2 P 0.76683(4) 0.10820(3) 0.40864(3) 0.01865(14) Uani 1 1 d . . .
Fe1 Fe 0.655431(18) 0.049553(17) 0.288683(14) 0.01389(9) Uani 1 1 d . . .
Rh1 Rh 0.650106(11) 0.156827(10) 0.452341(8) 0.01759(8) Uani 1 1 d . . .
Cl1 Cl 0.29263(4) 0.12572(4) 0.44401(3) 0.02355(15) Uani 1 1 d . . .
 
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
C31 C32 1.370(5) . ?
C31 C36 1.523(5) . ?
C31 Rh1 2.171(3) . ?
C31 H31 0.96(4) . ?
C32 C33 1.520(4) . ?
C32 Rh1 2.200(3) . ?
C32 H32 0.97(4) . ?
C33 C34 1.516(5) . ?
C33 C37 1.542(5) . ?
C33 H33 1.0000 . ?
C34 C35 1.356(5) . ?
C34 Rh1 2.205(3) . ?
C34 H34 0.99(4) . ?
C35 C36 1.543(5) . ?
C35 Rh1 2.174(3) . ?
C35 H35 0.83(3) . ?
C36 C37 1.541(5) . ?
C36 H36 1.0000 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
O1 Cl1 1.409(2) . ?
O2 Cl1 1.396(3) . ?
O3 Cl1 1.380(3) . ?
O4 Cl1 1.408(2) . ?
C1 C2 1.445(3) . ?
C1 C8 1.457(3) . ?
C1 P1 1.822(2) . ?
C1 Fe1 2.033(2) . ?
C2 C4 1.438(3) . ?
C2 C3 1.495(3) . ?
C2 Fe1 2.040(2) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C6 1.416(4) . ?
C4 C5 1.501(4) . ?
C4 Fe1 2.060(2) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C8 1.423(4) . ?
C6 C7 1.502(3) . ?
C6 Fe1 2.065(2) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.502(4) . ?
C8 Fe1 2.048(2) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C17 1.449(3) . ?
C10 C11 1.454(3) . ?
C10 P2 1.829(2) . ?
C10 Fe1 2.036(2) . ?
C11 C13 1.430(4) . ?
C11 C12 1.497(3) . ?
C11 Fe1 2.043(2) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C15 1.431(4) . ?
C13 C14 1.502(4) . ?
C13 Fe1 2.065(2) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C17 1.431(3) . ?
C15 C16 1.500(4) . ?
C15 Fe1 2.069(2) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.495(3) . ?
C17 Fe1 2.040(2) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C21 1.532(3) . ?
C19 C20 1.532(4) . ?
C19 P1 1.882(2) . ?
C19 H19 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.526(4) . ?
C22 C24 1.531(4) . ?
C22 P1 1.852(2) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C27 1.527(4) . ?
C25 C26 1.536(4) . ?
C25 P2 1.884(3) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.535(4) . ?
C28 C30 1.541(4) . ?
C28 P2 1.857(3) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
P1 Rh1 2.3931(6) . ?
P2 Rh1 2.3944(7) . ?
 
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_3
 _geom_angle_publ_flag
C32 C31 C36 106.3(3) . . ?
C32 C31 Rh1 72.89(17) . . ?
C36 C31 Rh1 96.2(2) . . ?
C32 C31 H31 129(2) . . ?
C36 C31 H31 122(2) . . ?
Rh1 C31 H31 114(2) . . ?
C31 C32 C33 106.8(3) . . ?
C31 C32 Rh1 70.58(17) . . ?
C33 C32 Rh1 97.94(19) . . ?
C31 C32 H32 124(2) . . ?
C33 C32 H32 126(2) . . ?
Rh1 C32 H32 114(2) . . ?
C34 C33 C32 100.3(2) . . ?
C34 C33 C37 100.8(3) . . ?
C32 C33 C37 100.9(3) . . ?
C34 C33 H33 117.3 . . ?
C32 C33 H33 117.3 . . ?
C37 C33 H33 117.3 . . ?
C35 C34 C33 107.2(3) . . ?
C35 C34 Rh1 70.72(18) . . ?
C33 C34 Rh1 97.87(19) . . ?
C35 C34 H34 128.5(19) . . ?
C33 C34 H34 121.5(19) . . ?
Rh1 C34 H34 114.4(18) . . ?
C34 C35 C36 106.4(3) . . ?
C34 C35 Rh1 73.22(19) . . ?
C36 C35 Rh1 95.5(2) . . ?
C34 C35 H35 133(3) . . ?
C36 C35 H35 119(3) . . ?
Rh1 C35 H35 112(3) . . ?
C31 C36 C37 100.7(3) . . ?
C31 C36 C35 101.5(2) . . ?
C37 C36 C35 99.6(3) . . ?
C31 C36 H36 117.3 . . ?
C37 C36 H36 117.3 . . ?
C35 C36 H36 117.3 . . ?
C36 C37 C33 93.2(2) . . ?
C36 C37 H37A 113.1 . . ?
C33 C37 H37A 113.1 . . ?
C36 C37 H37B 113.1 . . ?
C33 C37 H37B 113.1 . . ?
H37A C37 H37B 110.5 . . ?
C2 C1 C8 107.1(2) . . ?
C2 C1 P1 119.31(17) . . ?
C8 C1 P1 133.29(18) . . ?
C2 C1 Fe1 69.47(13) . . ?
C8 C1 Fe1 69.65(13) . . ?
P1 C1 Fe1 130.18(12) . . ?
C4 C2 C1 107.6(2) . . ?
C4 C2 C3 124.5(2) . . ?
C1 C2 C3 127.9(2) . . ?
C4 C2 Fe1 70.21(13) . . ?
C1 C2 Fe1 68.96(13) . . ?
C3 C2 Fe1 128.40(18) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C6 C4 C2 108.6(2) . . ?
C6 C4 C5 125.9(2) . . ?
C2 C4 C5 125.4(2) . . ?
C6 C4 Fe1 70.11(13) . . ?
C2 C4 Fe1 68.72(13) . . ?
C5 C4 Fe1 128.75(19) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 C8 108.9(2) . . ?
C4 C6 C7 125.7(3) . . ?
C8 C6 C7 125.4(3) . . ?
C4 C6 Fe1 69.73(14) . . ?
C8 C6 Fe1 69.14(13) . . ?
C7 C6 Fe1 128.77(18) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 C1 107.8(2) . . ?
C6 C8 C9 121.8(2) . . ?
C1 C8 C9 130.4(2) . . ?
C6 C8 Fe1 70.38(15) . . ?
C1 C8 Fe1 68.50(13) . . ?
C9 C8 Fe1 128.93(18) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C17 C10 C11 107.1(2) . . ?
C17 C10 P2 118.62(18) . . ?
C11 C10 P2 133.92(18) . . ?
C17 C10 Fe1 69.32(13) . . ?
C11 C10 Fe1 69.40(13) . . ?
P2 C10 Fe1 130.96(12) . . ?
C13 C11 C10 107.8(2) . . ?
C13 C11 C12 122.0(2) . . ?
C10 C11 C12 130.2(2) . . ?
C13 C11 Fe1 70.46(14) . . ?
C10 C11 Fe1 68.84(13) . . ?
C12 C11 Fe1 125.36(18) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 C15 108.7(2) . . ?
C11 C13 C14 125.5(2) . . ?
C15 C13 C14 125.7(2) . . ?
C11 C13 Fe1 68.80(13) . . ?
C15 C13 Fe1 69.88(13) . . ?
C14 C13 Fe1 129.78(18) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 C17 108.2(2) . . ?
C13 C15 C16 125.9(2) . . ?
C17 C15 C16 125.9(2) . . ?
C13 C15 Fe1 69.61(14) . . ?
C17 C15 Fe1 68.52(13) . . ?
C16 C15 Fe1 129.25(19) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 C10 108.2(2) . . ?
C15 C17 C18 124.2(2) . . ?
C10 C17 C18 127.5(2) . . ?
C15 C17 Fe1 70.73(14) . . ?
C10 C17 Fe1 69.02(13) . . ?
C18 C17 Fe1 128.76(17) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C21 C19 C20 108.5(2) . . ?
C21 C19 P1 117.06(18) . . ?
C20 C19 P1 114.60(17) . . ?
C21 C19 H19 105.2 . . ?
C20 C19 H19 105.2 . . ?
P1 C19 H19 105.2 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C24 108.9(2) . . ?
C23 C22 P1 117.57(18) . . ?
C24 C22 P1 109.57(19) . . ?
C23 C22 H22 106.8 . . ?
C24 C22 H22 106.8 . . ?
P1 C22 H22 106.8 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C27 C25 C26 108.5(2) . . ?
C27 C25 P2 115.2(2) . . ?
C26 C25 P2 115.8(2) . . ?
C27 C25 H25 105.4 . . ?
C26 C25 H25 105.4 . . ?
P2 C25 H25 105.4 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C29 C28 C30 108.8(2) . . ?
C29 C28 P2 117.6(2) . . ?
C30 C28 P2 110.7(2) . . ?
C29 C28 H28 106.4 . . ?
C30 C28 H28 106.4 . . ?
P2 C28 H28 106.4 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C1 P1 C22 109.42(12) . . ?
C1 P1 C19 98.88(11) . . ?
C22 P1 C19 106.80(11) . . ?
C1 P1 Rh1 116.03(8) . . ?
C22 P1 Rh1 107.81(9) . . ?
C19 P1 Rh1 117.30(8) . . ?
C10 P2 C28 109.43(12) . . ?
C10 P2 C25 99.04(12) . . ?
C28 P2 C25 106.76(13) . . ?
C10 P2 Rh1 114.54(8) . . ?
C28 P2 Rh1 110.46(9) . . ?
C25 P2 Rh1 115.83(10) . . ?
C1 Fe1 C10 107.19(9) . . ?
C1 Fe1 C2 41.57(9) . . ?
C10 Fe1 C2 123.93(9) . . ?
C1 Fe1 C17 121.95(9) . . ?
C10 Fe1 C17 41.67(9) . . ?
C2 Fe1 C17 106.70(10) . . ?
C1 Fe1 C11 124.14(10) . . ?
C10 Fe1 C11 41.76(9) . . ?
C2 Fe1 C11 161.84(10) . . ?
C17 Fe1 C11 69.79(10) . . ?
C1 Fe1 C8 41.84(9) . . ?
C10 Fe1 C8 122.31(10) . . ?
C2 Fe1 C8 69.68(10) . . ?
C17 Fe1 C8 159.21(10) . . ?
C11 Fe1 C8 106.95(10) . . ?
C1 Fe1 C4 69.30(9) . . ?
C10 Fe1 C4 160.86(10) . . ?
C2 Fe1 C4 41.08(9) . . ?
C17 Fe1 C4 123.07(10) . . ?
C11 Fe1 C4 155.72(10) . . ?
C8 Fe1 C4 68.41(10) . . ?
C1 Fe1 C6 69.22(10) . . ?
C10 Fe1 C6 157.82(10) . . ?
C2 Fe1 C6 68.78(10) . . ?
C17 Fe1 C6 158.90(10) . . ?
C11 Fe1 C6 120.94(10) . . ?
C8 Fe1 C6 40.48(10) . . ?
C4 Fe1 C6 40.16(11) . . ?
C1 Fe1 C13 160.76(10) . . ?
C10 Fe1 C13 69.26(9) . . ?
C2 Fe1 C13 156.05(10) . . ?
C17 Fe1 C13 68.76(9) . . ?
C11 Fe1 C13 40.75(10) . . ?
C8 Fe1 C13 122.93(10) . . ?
C4 Fe1 C13 120.32(10) . . ?
C6 Fe1 C13 106.55(10) . . ?
C1 Fe1 C15 157.57(10) . . ?
C10 Fe1 C15 69.28(9) . . ?
C2 Fe1 C15 120.81(10) . . ?
C17 Fe1 C15 40.75(9) . . ?
C11 Fe1 C15 68.85(10) . . ?
C8 Fe1 C15 158.80(10) . . ?
C4 Fe1 C15 106.41(10) . . ?
C6 Fe1 C15 122.50(10) . . ?
C13 Fe1 C15 40.51(10) . . ?
C31 Rh1 C35 66.24(13) . . ?
C31 Rh1 C32 36.53(12) . . ?
C35 Rh1 C32 76.84(13) . . ?
C31 Rh1 C34 76.82(12) . . ?
C35 Rh1 C34 36.06(14) . . ?
C32 Rh1 C34 63.88(12) . . ?
C31 Rh1 P1 95.55(9) . . ?
C35 Rh1 P1 156.74(11) . . ?
C32 Rh1 P1 97.36(8) . . ?
C34 Rh1 P1 157.53(9) . . ?
C31 Rh1 P2 158.88(10) . . ?
C35 Rh1 P2 97.39(10) . . ?
C32 Rh1 P2 156.58(9) . . ?
C34 Rh1 P2 98.00(9) . . ?
P1 Rh1 P2 96.19(2) . . ?
O3 Cl1 O2 106.0(3) . . ?
O3 Cl1 O4 107.4(2) . . ?
O2 Cl1 O4 112.0(2) . . ?
O3 Cl1 O1 109.2(2) . . ?
O2 Cl1 O1 110.41(18) . . ?
O4 Cl1 O1 111.56(17) . . ?
 
_diffrn_measured_fraction_theta_max    0.993
_diffrn_reflns_theta_full              27.50
_diffrn_measured_fraction_theta_full   0.993
_refine_diff_density_max    1.037
_refine_diff_density_min   -0.850
_refine_diff_density_rms    0.085
