data_2005src1385
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 Dr. I. R. Butler
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C35 H27 Br2 Cl5 Fe P2 Pd'
_chemical_formula_weight          1008.83
 
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'
 'Fe'  'Fe'   0.3463   0.8444
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Br'  'Br'  -0.2901   2.4595
 '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'
 'Pd'  'Pd'  -0.9988   1.0072
 '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'
 
_symmetry_cell_setting            triclinic
_symmetry_space_group_name_H-M    P-1
_symmetry_space_group_name_hall   '-P 1'
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, -y, -z'
 
_cell_length_a                    10.6212(3)
_cell_length_b                    11.6023(3)
_cell_length_c                    16.3071(4)
_cell_angle_alpha                 69.7780(10)
_cell_angle_beta                  81.3780(10)
_cell_angle_gamma                 73.0820(10)
_cell_volume                      1801.33(8)
_cell_formula_units_Z             2
_cell_measurement_temperature     120(2)
_cell_measurement_reflns_used     8123
_cell_measurement_theta_min       2.910
_cell_measurement_theta_max       27.485
 
_exptl_crystal_description        'Cut Slab'
_exptl_crystal_colour             Red
_exptl_crystal_size_max           0.24
_exptl_crystal_size_mid           0.20
_exptl_crystal_size_min           0.08
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.860
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              988
_exptl_absorpt_coefficient_mu     3.606
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.4782
_exptl_absorpt_correction_T_max   0.7613
_exptl_absorpt_process_details       'SADABS V2.10 (Sheldrick, G.M., 2003)'

_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 95mm CCD camera on κ-goniostat'
_diffrn_measurement_method          'φ & ω scans'
_diffrn_detector_area_resol_mean   9.091
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             34771
_diffrn_reflns_av_R_equivalents   0.0426
_diffrn_reflns_av_sigmaI/netI     0.0457
_diffrn_reflns_limit_h_min        -13
_diffrn_reflns_limit_h_max        13
_diffrn_reflns_limit_k_min        -15
_diffrn_reflns_limit_k_max        14
_diffrn_reflns_limit_l_min        -21
_diffrn_reflns_limit_l_max        20
_diffrn_reflns_theta_min          3.08
_diffrn_reflns_theta_max          27.48
_reflns_number_total              8237
_reflns_number_gt                 6426
_reflns_threshold_expression      >2sigma(I)
 
_computing_data_collection        
'COLLECT (Hooft, R.W.W., 1998)'
_computing_cell_refinement        
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
#Although determined using DirAx, the cell is refined in the HKL
#package during data reduction
_computing_data_reduction         
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997a)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997b)' 
_computing_molecular_graphics     'ORTEP3 for Windows (Farrugia, 1997)'
_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)+(0.0357P)²+4.6457P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          8237
_refine_ls_number_parameters      452
_refine_ls_number_restraints      72
_refine_ls_R_factor_all           0.0609
_refine_ls_R_factor_gt            0.0398
_refine_ls_wR_factor_ref          0.0972
_refine_ls_wR_factor_gt           0.0882
_refine_ls_goodness_of_fit_ref    1.034
_refine_ls_restrained_S_all       1.035
_refine_ls_shift/su_max           0.000
_refine_ls_shift/su_mean          0.000
 
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
C1 C 0.3474(4) 0.0834(4) 0.1740(3) 0.0254(9) Uani 1 1 d . . .
C2 C 0.4386(4) 0.0827(4) 0.2313(3) 0.0333(10) Uani 1 1 d . . .
C3 C 0.5668(4) 0.0680(5) 0.1894(3) 0.0397(11) Uani 1 1 d . . .
H3 H 0.6450 0.0643 0.2131 0.048 Uiso 1 1 calc R . .
C4 C 0.5569(4) 0.0601(5) 0.1065(3) 0.0403(11) Uani 1 1 d . . .
H4 H 0.6281 0.0498 0.0645 0.048 Uiso 1 1 calc R . .
C5 C 0.4247(4) 0.0698(4) 0.0957(3) 0.0340(10) Uani 1 1 d . . .
H5 H 0.3919 0.0677 0.0453 0.041 Uiso 1 1 calc R . .
C6 C 0.4100(4) -0.2167(4) 0.2885(3) 0.0297(9) Uani 1 1 d . . .
C7 C 0.4443(4) -0.2369(4) 0.2053(3) 0.0324(10) Uani 1 1 d . . .
C8 C 0.5829(4) -0.2530(5) 0.1867(3) 0.0419(12) Uani 1 1 d . . .
H8 H 0.6309 -0.2674 0.1356 0.050 Uiso 1 1 calc R . .
C9 C 0.6357(4) -0.2437(5) 0.2576(4) 0.0437(12) Uani 1 1 d . . .
H9 H 0.7258 -0.2503 0.2624 0.052 Uiso 1 1 calc R . .
C10 C 0.5313(4) -0.2226(4) 0.3211(3) 0.0363(10) Uani 1 1 d . . .
H10 H 0.5402 -0.2138 0.3756 0.044 Uiso 1 1 calc R . .
C11 C 0.1235(4) 0.1617(4) 0.0746(3) 0.0238(8) Uani 1 1 d . . .
C12 C 0.1317(4) 0.0766(4) 0.0305(3) 0.0334(10) Uani 1 1 d . . .
H12 H 0.1624 -0.0120 0.0598 0.040 Uiso 1 1 calc R . .
C13 C 0.0964(4) 0.1174(4) -0.0546(3) 0.0338(10) Uani 1 1 d . . .
H13 H 0.1048 0.0572 -0.0838 0.041 Uiso 1 1 calc R . .
C14 C 0.0493(5) 0.2435(5) -0.0972(3) 0.0403(11) Uani 1 1 d . . .
H14 H 0.0244 0.2720 -0.1559 0.048 Uiso 1 1 calc R . .
C15 C 0.0384(7) 0.3299(5) -0.0537(4) 0.0604(17) Uani 1 1 d . . .
H15 H 0.0044 0.4181 -0.0827 0.072 Uiso 1 1 calc R . .
C16 C 0.0763(5) 0.2894(5) 0.0316(3) 0.0450(12) Uani 1 1 d . . .
H16 H 0.0698 0.3498 0.0603 0.054 Uiso 1 1 calc R . .
C17 C 0.1156(4) 0.2406(4) 0.2272(3) 0.0243(8) Uani 1 1 d . . .
C18 C 0.1855(4) 0.3337(4) 0.1988(3) 0.0293(9) Uani 1 1 d . . .
H18 H 0.2606 0.3249 0.1594 0.035 Uiso 1 1 calc R . .
C19 C 0.1466(5) 0.4384(4) 0.2275(3) 0.0379(11) Uani 1 1 d . . .
H19 H 0.1952 0.5009 0.2082 0.045 Uiso 1 1 calc R . .
C20 C 0.0375(5) 0.4524(5) 0.2839(3) 0.0437(12) Uani 1 1 d . . .
H20 H 0.0113 0.5240 0.3040 0.052 Uiso 1 1 calc R . .
C21 C -0.0342(6) 0.3622(5) 0.3113(3) 0.0448(12) Uani 1 1 d . . .
H21 H -0.1102 0.3726 0.3497 0.054 Uiso 1 1 calc R . .
C22 C 0.0048(4) 0.2563(4) 0.2830(3) 0.0325(10) Uani 1 1 d . . .
H22 H -0.0448 0.1946 0.3019 0.039 Uiso 1 1 calc R . .
C23 C 0.2453(4) -0.3678(4) 0.3946(3) 0.0244(8) Uani 1 1 d . . .
C24 C 0.3276(4) -0.4635(4) 0.3638(3) 0.0309(9) Uani 1 1 d . . .
H24 H 0.3858 -0.4427 0.3139 0.037 Uiso 1 1 calc R . .
C25 C 0.3246(5) -0.5888(4) 0.4058(3) 0.0393(11) Uani 1 1 d . . .
H25 H 0.3794 -0.6531 0.3833 0.047 Uiso 1 1 calc R . .
C26 C 0.2437(5) -0.6216(4) 0.4796(3) 0.0380(11) Uani 1 1 d . . .
H26 H 0.2438 -0.7082 0.5085 0.046 Uiso 1 1 calc R . .
C27 C 0.1627(5) -0.5281(5) 0.5110(3) 0.0379(11) Uani 1 1 d . . .
H27 H 0.1075 -0.5502 0.5624 0.046 Uiso 1 1 calc R . .
C28 C 0.1613(4) -0.4016(4) 0.4682(3) 0.0327(10) Uani 1 1 d . . .
H28 H 0.1025 -0.3374 0.4891 0.039 Uiso 1 1 calc R . .
C29 C 0.2525(4) -0.1528(4) 0.4380(3) 0.0270(9) Uani 1 1 d . . .
C30 C 0.1673(4) -0.0396(4) 0.4443(3) 0.0311(9) Uani 1 1 d . . .
H30 H 0.1078 0.0113 0.3997 0.037 Uiso 1 1 calc R . .
C31 C 0.1685(4) -0.0003(5) 0.5157(3) 0.0376(11) Uani 1 1 d . . .
H31 H 0.1115 0.0781 0.5191 0.045 Uiso 1 1 calc R . .
C32 C 0.2530(4) -0.0758(5) 0.5814(3) 0.0434(12) Uani 1 1 d . . .
H32 H 0.2551 -0.0488 0.6299 0.052 Uiso 1 1 calc R . .
C33 C 0.3344(5) -0.1903(5) 0.5769(3) 0.0447(12) Uani 1 1 d . . .
H33 H 0.3907 -0.2429 0.6231 0.054 Uiso 1 1 calc R . .
C34 C 0.3352(4) -0.2295(5) 0.5057(3) 0.0361(10) Uani 1 1 d . . .
H34 H 0.3919 -0.3085 0.5030 0.043 Uiso 1 1 calc R . .
Fe1 Fe 0.49061(5) -0.08138(6) 0.20450(4) 0.02989(15) Uani 1 1 d . . .
Br1 Br 0.40375(4) 0.10320(5) 0.34223(3) 0.03711(12) Uani 1 1 d . . .
Br2 Br 0.32899(5) -0.25509(4) 0.13614(3) 0.03771(12) Uani 1 1 d . . .
Cl1 Cl -0.11461(9) 0.08220(9) 0.19589(7) 0.0258(2) Uani 1 1 d . . .
Cl2 Cl -0.04851(9) -0.20975(9) 0.32650(7) 0.0283(2) Uani 1 1 d . . .
Pd1 Pd 0.07557(3) -0.06148(3) 0.262830(19) 0.01861(8) Uani 1 1 d . . .
P1 P 0.16960(9) 0.10316(10) 0.18832(7) 0.0214(2) Uani 1 1 d . . .
P2 P 0.24746(9) -0.20093(10) 0.34334(7) 0.0223(2) Uani 1 1 d . . .
C41 C 0.6831(16) -0.6190(12) 0.1217(10) 0.063(3) Uani 0.684(5) 1 d PDU A 1
H41 H 0.7490 -0.6967 0.1544 0.076 Uiso 0.684(5) 1 calc PR A 1
Cl41 Cl 0.5475(6) -0.5977(6) 0.1896(3) 0.102(2) Uani 0.684(5) 1 d PDU A 1
Cl42 Cl 0.6502(3) -0.6443(3) 0.02955(17) 0.0845(11) Uani 0.684(5) 1 d PDU A 1
Cl43 Cl 0.7570(3) -0.4910(3) 0.0888(3) 0.0982(14) Uani 0.684(5) 1 d PDU A 1
C51 C 0.676(2) -0.617(2) 0.1240(17) 0.072(7) Uani 0.316(5) 1 d PDU A 2
H51 H 0.7288 -0.7045 0.1268 0.087 Uiso 0.316(5) 1 calc PR A 2
Cl51 Cl 0.6769(10) -0.5153(12) 0.0206(6) 0.175(6) Uani 0.316(5) 1 d PDU A 2
Cl52 Cl 0.7423(9) -0.5562(8) 0.1855(8) 0.139(4) Uani 0.316(5) 1 d PDU A 2
Cl53 Cl 0.5212(10) -0.6171(13) 0.1767(10) 0.104(5) Uani 0.316(5) 1 d PDU A 2
 
 
_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
C1 C2 1.440(6) . ?
C1 C5 1.442(6) . ?
C1 P1 1.823(4) . ?
C1 Fe1 2.023(4) . ?
C2 C3 1.420(6) . ?
C2 Br1 1.874(4) . ?
C2 Fe1 2.003(4) . ?
C3 C4 1.408(7) . ?
C3 Fe1 2.045(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.409(6) . ?
C4 Fe1 2.066(5) . ?
C4 H4 0.9500 . ?
C5 Fe1 2.055(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.432(6) . ?
C6 C10 1.440(6) . ?
C6 P2 1.811(4) . ?
C6 Fe1 2.005(4) . ?
C7 C8 1.428(6) . ?
C7 Br2 1.883(4) . ?
C7 Fe1 1.999(4) . ?
C8 C9 1.406(7) . ?
C8 Fe1 2.046(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.426(7) . ?
C9 Fe1 2.062(5) . ?
C9 H9 0.9500 . ?
C10 Fe1 2.041(5) . ?
C10 H10 0.9500 . ?
C11 C16 1.377(6) . ?
C11 C12 1.386(5) . ?
C11 P1 1.829(4) . ?
C12 C13 1.374(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.360(7) . ?
C13 H13 0.9500 . ?
C14 C15 1.385(7) . ?
C14 H14 0.9500 . ?
C15 C16 1.387(7) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C22 1.384(6) . ?
C17 C18 1.397(5) . ?
C17 P1 1.825(4) . ?
C18 C19 1.382(6) . ?
C18 H18 0.9500 . ?
C19 C20 1.374(7) . ?
C19 H19 0.9500 . ?
C20 C21 1.383(7) . ?
C20 H20 0.9500 . ?
C21 C22 1.390(6) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.391(6) . ?
C23 C28 1.396(6) . ?
C23 P2 1.830(4) . ?
C24 C25 1.384(6) . ?
C24 H24 0.9500 . ?
C25 C26 1.377(7) . ?
C25 H25 0.9500 . ?
C26 C27 1.374(7) . ?
C26 H26 0.9500 . ?
C27 C28 1.387(6) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.389(6) . ?
C29 C34 1.392(6) . ?
C29 P2 1.825(4) . ?
C30 C31 1.392(6) . ?
C30 H30 0.9500 . ?
C31 C32 1.380(7) . ?
C31 H31 0.9500 . ?
C32 C33 1.378(7) . ?
C32 H32 0.9500 . ?
C33 C34 1.383(6) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
Cl1 Pd1 2.3439(10) . ?
Cl2 Pd1 2.3343(10) . ?
Pd1 P2 2.2816(10) . ?
Pd1 P1 2.2944(10) . ?
C41 Cl41 1.692(17) . ?
C41 Cl42 1.729(13) . ?
C41 Cl43 1.764(18) . ?
C41 H41 1.0000 . ?
C51 Cl51 1.69(3) . ?
C51 Cl52 1.72(2) . ?
C51 Cl53 1.74(3) . ?
C51 H51 1.0000 . ?
 
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
C2 C1 C5 105.7(3) . . ?
C2 C1 P1 130.4(3) . . ?
C5 C1 P1 123.9(3) . . ?
C2 C1 Fe1 68.3(2) . . ?
C5 C1 Fe1 70.5(2) . . ?
P1 C1 Fe1 127.5(2) . . ?
C3 C2 C1 109.1(4) . . ?
C3 C2 Br1 122.3(3) . . ?
C1 C2 Br1 128.5(3) . . ?
C3 C2 Fe1 71.1(3) . . ?
C1 C2 Fe1 69.8(2) . . ?
Br1 C2 Fe1 127.0(2) . . ?
C4 C3 C2 107.5(4) . . ?
C4 C3 Fe1 70.7(3) . . ?
C2 C3 Fe1 67.9(2) . . ?
C4 C3 H3 126.3 . . ?
C2 C3 H3 126.3 . . ?
Fe1 C3 H3 126.7 . . ?
C3 C4 C5 109.1(4) . . ?
C3 C4 Fe1 69.2(3) . . ?
C5 C4 Fe1 69.6(3) . . ?
C3 C4 H4 125.4 . . ?
C5 C4 H4 125.4 . . ?
Fe1 C4 H4 127.4 . . ?
C4 C5 C1 108.6(4) . . ?
C4 C5 Fe1 70.4(3) . . ?
C1 C5 Fe1 68.1(2) . . ?
C4 C5 H5 125.7 . . ?
C1 C5 H5 125.7 . . ?
Fe1 C5 H5 127.3 . . ?
C7 C6 C10 106.2(4) . . ?
C7 C6 P2 125.5(3) . . ?
C10 C6 P2 128.1(3) . . ?
C7 C6 Fe1 68.8(2) . . ?
C10 C6 Fe1 70.5(3) . . ?
P2 C6 Fe1 129.1(2) . . ?
C8 C7 C6 109.0(4) . . ?
C8 C7 Br2 125.1(3) . . ?
C6 C7 Br2 125.6(3) . . ?
C8 C7 Fe1 71.1(3) . . ?
C6 C7 Fe1 69.3(2) . . ?
Br2 C7 Fe1 130.1(2) . . ?
C9 C8 C7 107.8(4) . . ?
C9 C8 Fe1 70.6(3) . . ?
C7 C8 Fe1 67.6(2) . . ?
C9 C8 H8 126.1 . . ?
C7 C8 H8 126.1 . . ?
Fe1 C8 H8 127.3 . . ?
C8 C9 C10 108.5(4) . . ?
C8 C9 Fe1 69.4(3) . . ?
C10 C9 Fe1 68.8(3) . . ?
C8 C9 H9 125.7 . . ?
C10 C9 H9 125.7 . . ?
Fe1 C9 H9 127.6 . . ?
C9 C10 C6 108.4(4) . . ?
C9 C10 Fe1 70.5(3) . . ?
C6 C10 Fe1 67.8(3) . . ?
C9 C10 H10 125.8 . . ?
C6 C10 H10 125.8 . . ?
Fe1 C10 H10 127.5 . . ?
C16 C11 C12 118.3(4) . . ?
C16 C11 P1 121.6(3) . . ?
C12 C11 P1 120.1(3) . . ?
C13 C12 C11 121.5(4) . . ?
C13 C12 H12 119.2 . . ?
C11 C12 H12 119.2 . . ?
C14 C13 C12 120.3(4) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C13 C14 C15 119.0(4) . . ?
C13 C14 H14 120.5 . . ?
C15 C14 H14 120.5 . . ?
C14 C15 C16 120.9(5) . . ?
C14 C15 H15 119.5 . . ?
C16 C15 H15 119.5 . . ?
C11 C16 C15 119.9(4) . . ?
C11 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C22 C17 C18 119.0(4) . . ?
C22 C17 P1 121.4(3) . . ?
C18 C17 P1 119.6(3) . . ?
C19 C18 C17 120.6(4) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C20 C19 C18 120.1(4) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C20 C21 120.0(4) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
C20 C21 C22 120.2(5) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C17 C22 C21 120.1(4) . . ?
C17 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C24 C23 C28 118.5(4) . . ?
C24 C23 P2 122.0(3) . . ?
C28 C23 P2 119.4(3) . . ?
C25 C24 C23 120.0(4) . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C26 C25 C24 121.1(4) . . ?
C26 C25 H25 119.5 . . ?
C24 C25 H25 119.5 . . ?
C27 C26 C25 119.4(4) . . ?
C27 C26 H26 120.3 . . ?
C25 C26 H26 120.3 . . ?
C26 C27 C28 120.3(4) . . ?
C26 C27 H27 119.8 . . ?
C28 C27 H27 119.8 . . ?
C27 C28 C23 120.6(4) . . ?
C27 C28 H28 119.7 . . ?
C23 C28 H28 119.7 . . ?
C30 C29 C34 119.2(4) . . ?
C30 C29 P2 119.0(3) . . ?
C34 C29 P2 121.7(3) . . ?
C29 C30 C31 120.5(4) . . ?
C29 C30 H30 119.8 . . ?
C31 C30 H30 119.8 . . ?
C32 C31 C30 119.7(5) . . ?
C32 C31 H31 120.2 . . ?
C30 C31 H31 120.2 . . ?
C33 C32 C31 120.0(4) . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C32 C33 C34 120.7(5) . . ?
C32 C33 H33 119.6 . . ?
C34 C33 H33 119.6 . . ?
C33 C34 C29 119.8(5) . . ?
C33 C34 H34 120.1 . . ?
C29 C34 H34 120.1 . . ?
C7 Fe1 C2 149.17(17) . . ?
C7 Fe1 C6 41.92(17) . . ?
C2 Fe1 C6 114.19(18) . . ?
C7 Fe1 C1 116.89(16) . . ?
C2 Fe1 C1 41.92(16) . . ?
C6 Fe1 C1 107.73(16) . . ?
C7 Fe1 C10 69.29(19) . . ?
C2 Fe1 C10 106.34(19) . . ?
C6 Fe1 C10 41.71(17) . . ?
C1 Fe1 C10 130.78(18) . . ?
C7 Fe1 C3 169.60(18) . . ?
C2 Fe1 C3 41.06(17) . . ?
C6 Fe1 C3 146.06(19) . . ?
C1 Fe1 C3 69.90(17) . . ?
C10 Fe1 C3 113.02(19) . . ?
C7 Fe1 C8 41.32(17) . . ?
C2 Fe1 C8 167.35(19) . . ?
C6 Fe1 C8 70.17(18) . . ?
C1 Fe1 C8 149.92(19) . . ?
C10 Fe1 C8 68.5(2) . . ?
C3 Fe1 C8 129.05(18) . . ?
C7 Fe1 C5 111.14(18) . . ?
C2 Fe1 C5 68.94(18) . . ?
C6 Fe1 C5 133.28(17) . . ?
C1 Fe1 C5 41.40(16) . . ?
C10 Fe1 C5 171.92(17) . . ?
C3 Fe1 C5 68.11(19) . . ?
C8 Fe1 C5 117.5(2) . . ?
C7 Fe1 C9 68.63(19) . . ?
C2 Fe1 C9 128.8(2) . . ?
C6 Fe1 C9 69.73(18) . . ?
C1 Fe1 C9 169.32(19) . . ?
C10 Fe1 C9 40.69(19) . . ?
C3 Fe1 C9 106.09(19) . . ?
C8 Fe1 C9 40.0(2) . . ?
C5 Fe1 C9 147.37(19) . . ?
C7 Fe1 C4 132.87(19) . . ?
C2 Fe1 C4 68.17(19) . . ?
C6 Fe1 C4 172.57(18) . . ?
C1 Fe1 C4 68.97(17) . . ?
C10 Fe1 C4 145.44(18) . . ?
C3 Fe1 C4 40.07(19) . . ?
C8 Fe1 C4 109.11(19) . . ?
C5 Fe1 C4 40.01(17) . . ?
C9 Fe1 C4 114.77(19) . . ?
P2 Pd1 P1 99.98(4) . . ?
P2 Pd1 Cl2 88.81(4) . . ?
P1 Pd1 Cl2 171.20(4) . . ?
P2 Pd1 Cl1 173.24(4) . . ?
P1 Pd1 Cl1 83.18(4) . . ?
Cl2 Pd1 Cl1 88.10(3) . . ?
C1 P1 C17 101.49(18) . . ?
C1 P1 C11 101.35(18) . . ?
C17 P1 C11 105.85(18) . . ?
C1 P1 Pd1 122.98(14) . . ?
C17 P1 Pd1 115.39(13) . . ?
C11 P1 Pd1 107.86(12) . . ?
C6 P2 C29 107.45(19) . . ?
C6 P2 C23 101.10(19) . . ?
C29 P2 C23 102.00(19) . . ?
C6 P2 Pd1 117.00(15) . . ?
C29 P2 Pd1 108.40(14) . . ?
C23 P2 Pd1 119.40(13) . . ?
Cl41 C41 Cl42 112.3(10) . . ?
Cl41 C41 Cl43 112.8(6) . . ?
Cl42 C41 Cl43 108.9(9) . . ?
Cl41 C41 H41 107.5 . . ?
Cl42 C41 H41 107.5 . . ?
Cl43 C41 H41 107.5 . . ?
Cl51 C51 Cl52 106.0(15) . . ?
Cl51 C51 Cl53 115.4(14) . . ?
Cl52 C51 Cl53 101.2(15) . . ?
Cl51 C51 H51 111.2 . . ?
Cl52 C51 H51 111.2 . . ?
Cl53 C51 H51 111.2 . . ?
 
_diffrn_measured_fraction_theta_max    0.998
_diffrn_reflns_theta_full              27.48
_diffrn_measured_fraction_theta_full   0.998
_refine_diff_density_max    1.684
_refine_diff_density_min   -1.308
_refine_diff_density_rms    0.113
