 
data_98src114
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C35.60 H32 Cl2 Fe O1.40 P2 Pd'
_chemical_formula_weight          777.30
 
loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'C'  'C'   0.0181   0.0091
 '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'
 'P'  'P'   0.2955   0.4335
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Cl'  'Cl'   0.3639   0.7018
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Fe'  'Fe'  -1.1336   3.1974
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Pd'  'Pd'   0.1215   3.9337
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O'  'O'   0.0492   0.0322
 '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 
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, -y, -z'
 
_cell_length_a                    11.082(2)
_cell_length_b                    13.340(3)
_cell_length_c                    13.783(3)
_cell_angle_alpha                 88.85(3)
_cell_angle_beta                  76.48(3)
_cell_angle_gamma                 72.31(3)
_cell_volume                      1884.6(7)
_cell_formula_units_Z             2
_cell_measurement_temperature     293(2)
_cell_measurement_reflns_used     13383
_cell_measurement_theta_min       1
_cell_measurement_theta_max       27.48
 
_exptl_crystal_description        plate
_exptl_crystal_colour             colorless
_exptl_crystal_size_max           0.30
_exptl_crystal_size_mid           0.24
_exptl_crystal_size_min           0.20
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.370
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              786
_exptl_absorpt_coefficient_mu     9.242
_exptl_absorpt_correction_type    psi-scan
_exptl_absorpt_correction_T_min   0.1680
_exptl_absorpt_correction_T_max   0.2594
_exptl_absorpt_process_details    ?
 
_exptl_special_details
;
(North, Phillips & Mathews, 1968)
;
 
_diffrn_ambient_temperature       293(2)
_diffrn_radiation_wavelength      1.54178
_diffrn_radiation_type            CuK\a
_diffrn_radiation_source          'fine-focus sealed tube'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device        'Enraf Nonius TurboCAD4'
_diffrn_measurement_method       'non-profiled omega scans'
_diffrn_standards_number          3 
_diffrn_detector_area_resol_mean  ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   120
_diffrn_standards_decay_%         4
_diffrn_reflns_number             7401
_diffrn_reflns_av_R_equivalents   0.0218
_diffrn_reflns_av_sigmaI/netI     0.0347
_diffrn_reflns_limit_h_min        0
_diffrn_reflns_limit_h_max        13
_diffrn_reflns_limit_k_min        -15
_diffrn_reflns_limit_k_max        15
_diffrn_reflns_limit_l_min        -15
_diffrn_reflns_limit_l_max        16
_diffrn_reflns_theta_min          3.30
_diffrn_reflns_theta_max          66.93
_reflns_number_total              6495
_reflns_number_gt                 5464
_reflns_threshold_expression      >2σ(I)
 
_computing_data_collection       'CAD4 Express (Enraf Nonius, 1992)'
_computing_cell_refinement       'CAD4 Express (Enraf Nonius, 1992)'
_computing_data_reduction        'XCAD4 (Harms, 1996)'
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-92 (Sheldrick, 1993)' 
_computing_molecular_graphics     ?
_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 > 2σ(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)+(0.1156P)²+0.0000P] 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          6495
_refine_ls_number_parameters      417
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0626
_refine_ls_R_factor_gt            0.0514
_refine_ls_wR_factor_ref          0.1517
_refine_ls_wR_factor_gt           0.1443
_refine_ls_goodness_of_fit_ref    1.052
_refine_ls_restrained_S_all       1.052
_refine_ls_shift/su_max           0.005
_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
Pd1 Pd 0.95815(3) 0.99179(2) 0.63002(2) 0.04473(14) Uani 1 1 d . . .
Fe1 Fe 1.12567(6) 0.68970(5) 0.68906(6) 0.0488(2) Uani 1 1 d . . .
Cl1 Cl 0.99972(14) 1.07370(10) 0.75566(9) 0.0638(3) Uani 1 1 d . . .
Cl2 Cl 0.91058(15) 0.92777(11) 0.49259(9) 0.0680(4) Uani 1 1 d . . .
P1 P 0.84890(10) 0.90167(9) 0.73366(8) 0.0448(3) Uani 1 1 d . . .
P2 P 1.38531(12) 0.48335(10) 0.74050(10) 0.0578(3) Uani 1 1 d . . .
C1 C 0.9794(4) 0.7047(4) 0.6188(4) 0.0579(11) Uani 1 1 d . . .
H1 H 0.9761 0.7323 0.5566 0.069 Uiso 1 1 calc R . .
C2 C 1.0345(5) 0.5972(4) 0.6370(5) 0.0689(15) Uani 1 1 d . . .
H2 H 1.0729 0.5424 0.5881 0.083 Uiso 1 1 calc R . .
C3 C 1.0220(5) 0.5864(4) 0.7397(5) 0.0700(15) Uani 1 1 d . . .
H3 H 1.0512 0.5237 0.7700 0.084 Uiso 1 1 calc R . .
C4 C 0.9565(5) 0.6885(4) 0.7906(4) 0.0623(13) Uani 1 1 d . . .
H4 H 0.9356 0.7037 0.8592 0.075 Uiso 1 1 calc R . .
C5 C 0.9293(4) 0.7634(3) 0.7144(3) 0.0489(10) Uani 1 1 d . . .
C6 C 1.2578(4) 0.7136(4) 0.7609(4) 0.0577(11) Uani 1 1 d . . .
H6 H 1.2470 0.7191 0.8297 0.069 Uiso 1 1 calc R . .
C7 C 1.2215(5) 0.7973(4) 0.7012(5) 0.0632(13) Uani 1 1 d . . .
H7 H 1.1834 0.8677 0.7236 0.076 Uiso 1 1 calc R . .
C8 C 1.2518(5) 0.7582(4) 0.6014(5) 0.0672(15) Uani 1 1 d . . .
H8 H 1.2361 0.7983 0.5470 0.081 Uiso 1 1 calc R . .
C9 C 1.3102(5) 0.6475(4) 0.5977(4) 0.0619(12) Uani 1 1 d . . .
H9 H 1.3402 0.6025 0.5406 0.074 Uiso 1 1 calc R . .
C10 C 1.3150(4) 0.6166(4) 0.6994(4) 0.0535(10) Uani 1 1 d . . .
C11 C 0.8188(5) 0.9295(4) 0.8662(3) 0.0575(11) Uani 1 1 d . . .
C12 C 0.6937(7) 0.9787(8) 0.9224(5) 0.111(3) Uani 1 1 d . . .
H12 H 0.6239 0.9971 0.8922 0.133 Uiso 1 1 calc R . .
C13 C 0.6727(9) 1.0006(11) 1.0257(6) 0.157(5) Uani 1 1 d . . .
H13 H 0.5890 1.0355 1.0630 0.188 Uiso 1 1 calc R . .
C14 C 0.7727(9) 0.9715(10) 1.0709(5) 0.136(4) Uani 1 1 d . . .
H14 H 0.7576 0.9850 1.1393 0.163 Uiso 1 1 calc R . .
C15 C 0.8949(7) 0.9225(6) 1.0166(4) 0.0854(18) Uani 1 1 d . . .
H15 H 0.9634 0.9011 1.0481 0.103 Uiso 1 1 calc R . .
C16 C 0.9184(5) 0.9042(5) 0.9150(4) 0.0663(13) Uani 1 1 d . . .
H16 H 1.0037 0.8740 0.8783 0.080 Uiso 1 1 calc R . .
C17 C 0.6907(4) 0.9248(4) 0.7061(3) 0.0482(10) Uani 1 1 d . . .
C18 C 0.6319(5) 0.8472(5) 0.7131(5) 0.0700(15) Uani 1 1 d . . .
H18 H 0.6724 0.7808 0.7328 0.084 Uiso 1 1 calc R . .
C19 C 0.5102(6) 0.8691(6) 0.6903(6) 0.094(2) Uani 1 1 d . . .
H19 H 0.4712 0.8162 0.6926 0.112 Uiso 1 1 calc R . .
C20 C 0.4494(6) 0.9651(6) 0.6651(6) 0.090(2) Uani 1 1 d . . .
H20 H 0.3672 0.9793 0.6525 0.108 Uiso 1 1 calc R . .
C21 C 0.5071(6) 1.0422(7) 0.6579(7) 0.109(3) Uani 1 1 d . . .
H21 H 0.4651 1.1085 0.6389 0.131 Uiso 1 1 calc R . .
C22 C 0.6272(6) 1.0227(5) 0.6786(6) 0.0855(19) Uani 1 1 d . . .
H22 H 0.6659 1.0760 0.6740 0.103 Uiso 1 1 calc R . .
C23 C 1.3258(5) 0.3834(4) 0.6920(4) 0.0615(12) Uani 1 1 d . . .
C24 C 1.3477(8) 0.3620(5) 0.5906(6) 0.0887(19) Uani 1 1 d . . .
H24 H 1.4000 0.3928 0.5450 0.106 Uiso 1 1 calc R . .
C25 C 1.2903(11) 0.2935(7) 0.5575(9) 0.133(4) Uani 1 1 d . . .
H25 H 1.3015 0.2793 0.4896 0.160 Uiso 1 1 calc R . .
C26 C 1.2137(9) 0.2456(6) 0.6314(11) 0.126(4) Uani 1 1 d . . .
H26 H 1.1742 0.2004 0.6105 0.152 Uiso 1 1 calc R . .
C27 C 1.1983(9) 0.2632(6) 0.7241(10) 0.119(3) Uani 1 1 d . . .
H27 H 1.1507 0.2289 0.7698 0.143 Uiso 1 1 calc R . .
C28 C 1.2512(6) 0.3323(5) 0.7579(6) 0.090(2) Uani 1 1 d . . .
H28 H 1.2369 0.3453 0.8263 0.108 Uiso 1 1 calc R . .
C29 C 1.5663(5) 0.4480(4) 0.6954(4) 0.0577(11) Uani 1 1 d . . .
C30 C 1.6456(6) 0.3445(5) 0.6843(5) 0.0777(16) Uani 1 1 d . . .
H30 H 1.6084 0.2902 0.6951 0.093 Uiso 1 1 calc R . .
C31 C 1.7835(7) 0.3205(6) 0.6564(6) 0.093(2) Uani 1 1 d . . .
H31 H 1.8361 0.2507 0.6476 0.112 Uiso 1 1 calc R . .
C32 C 1.8382(6) 0.3988(7) 0.6427(6) 0.095(2) Uani 1 1 d . . .
H32 H 1.9285 0.3827 0.6272 0.114 Uiso 1 1 calc R . .
C33 C 1.7622(6) 0.5008(6) 0.6516(6) 0.103(2) Uani 1 1 d . . .
H33 H 1.8009 0.5541 0.6403 0.123 Uiso 1 1 calc R . .
C34 C 1.6280(5) 0.5263(5) 0.6772(5) 0.0789(17) Uani 1 1 d . . .
H34 H 1.5776 0.5967 0.6824 0.095 Uiso 1 1 calc R . .
O1 O 1.3428(4) 0.4836(3) 0.8615(3) 0.0798(11) Uani 1 1 d . . .
O2 O 1.3028(12) 0.6407(7) 0.9983(6) 0.071(3) Uani 0.40 1 d P . .
C35 C 1.100(2) 0.6098(18) 1.0502(16) 0.133(10) Uani 0.40 1 d P . .
H35A H 1.0739 0.6434 0.9928 0.200 Uiso 0.40 1 calc PR . .
H35B H 1.0244 0.6227 1.1052 0.200 Uiso 0.40 1 calc PR . .
H35C H 1.1378 0.5353 1.0351 0.200 Uiso 0.40 1 calc PR . .
C36 C 1.185(2) 0.6484(16) 1.0743(11) 0.108(8) Uani 0.40 1 d P . .
H36A H 1.2107 0.6128 1.1319 0.130 Uiso 0.40 1 calc PR . .
H36B H 1.1424 0.7223 1.0950 0.130 Uiso 0.40 1 calc PR . .
C37 C 1.615(3) 0.3287(19) 0.9784(16) 0.147(14) Uani 0.40 1 d P . .
H37A H 1.6581 0.2582 0.9478 0.176 Uiso 0.40 1 calc PR . .
H37B H 1.5848 0.3731 0.9269 0.176 Uiso 0.40 1 calc PR . .
C38 C 1.510(3) 0.3252(19) 1.047(2) 0.149(12) Uani 0.40 1 d P . .
H38A H 1.4632 0.2887 1.0183 0.224 Uiso 0.40 1 calc PR . .
H38B H 1.4555 0.3956 1.0684 0.224 Uiso 0.40 1 calc PR . .
H38C H 1.5367 0.2887 1.1026 0.224 Uiso 0.40 1 calc PR . .
 
 
_geom_special_details
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
Pd1 P1 2.2267(13) . ?
Pd1 Cl1 2.2716(13) . ?
Pd1 Cl2 2.3239(13) . ?
Pd1 Cl2 2.4187(14) 2_776 ?
Fe1 C1 2.034(5) . ?
Fe1 C5 2.046(4) . ?
Fe1 C2 2.048(5) . ?
Fe1 C8 2.048(5) . ?
Fe1 C6 2.049(5) . ?
Fe1 C9 2.052(5) . ?
Fe1 C7 2.058(5) . ?
Fe1 C3 2.062(5) . ?
Fe1 C4 2.065(5) . ?
Fe1 C10 2.065(4) . ?
Cl2 Pd1 2.4187(14) 2_776 ?
P1 C5 1.782(5) . ?
P1 C11 1.804(5) . ?
P1 C17 1.814(4) . ?
P2 O1 1.623(4) . ?
P2 C10 1.847(5) . ?
P2 C23 1.854(5) . ?
P2 C29 1.867(5) . ?
C1 C2 1.420(7) . ?
C1 C5 1.447(7) . ?
C2 C3 1.398(9) . ?
C3 C4 1.440(8) . ?
C4 C5 1.455(7) . ?
C6 C7 1.389(7) . ?
C6 C10 1.445(7) . ?
C7 C8 1.409(8) . ?
C8 C9 1.417(7) . ?
C9 C10 1.462(7) . ?
C11 C16 1.377(7) . ?
C11 C12 1.385(8) . ?
C12 C13 1.409(10) . ?
C13 C14 1.348(13) . ?
C14 C15 1.352(11) . ?
C15 C16 1.376(7) . ?
C17 C18 1.372(7) . ?
C17 C22 1.375(7) . ?
C18 C19 1.399(8) . ?
C19 C20 1.334(10) . ?
C20 C21 1.357(11) . ?
C21 C22 1.373(9) . ?
C23 C24 1.381(9) . ?
C23 C28 1.393(9) . ?
C24 C25 1.397(11) . ?
C25 C26 1.437(14) . ?
C26 C27 1.266(15) . ?
C27 C28 1.372(10) . ?
C29 C30 1.382(7) . ?
C29 C34 1.401(8) . ?
C30 C31 1.421(9) . ?
C31 C32 1.347(10) . ?
C32 C33 1.356(10) . ?
C33 C34 1.380(8) . ?
O2 C37 1.21(4) 2_867 ?
O2 C36 1.44(2) . ?
C35 C36 1.32(3) . ?
C37 O2 1.21(4) 2_867 ?
C37 C38 1.32(4) . ?
 
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
P1 Pd1 Cl1 93.57(5) . . ?
P1 Pd1 Cl2 91.69(5) . . ?
Cl1 Pd1 Cl2 172.99(5) . . ?
P1 Pd1 Cl2 173.94(5) . 2_776 ?
Cl1 Pd1 Cl2 90.45(5) . 2_776 ?
Cl2 Pd1 Cl2 84.69(5) . 2_776 ?
C1 Fe1 C5 41.54(19) . . ?
C1 Fe1 C2 40.7(2) . . ?
C5 Fe1 C2 68.9(2) . . ?
C1 Fe1 C8 106.2(2) . . ?
C5 Fe1 C8 119.15(19) . . ?
C2 Fe1 C8 125.1(3) . . ?
C1 Fe1 C6 166.1(2) . . ?
C5 Fe1 C6 129.5(2) . . ?
C2 Fe1 C6 153.0(2) . . ?
C8 Fe1 C6 67.5(2) . . ?
C1 Fe1 C9 115.4(2) . . ?
C5 Fe1 C9 151.3(2) . . ?
C2 Fe1 C9 104.7(2) . . ?
C8 Fe1 C9 40.5(2) . . ?
C6 Fe1 C9 68.5(2) . . ?
C1 Fe1 C7 127.9(2) . . ?
C5 Fe1 C7 110.29(19) . . ?
C2 Fe1 C7 163.8(3) . . ?
C8 Fe1 C7 40.1(2) . . ?
C6 Fe1 C7 39.5(2) . . ?
C9 Fe1 C7 67.8(2) . . ?
C1 Fe1 C3 68.4(2) . . ?
C5 Fe1 C3 68.98(19) . . ?
C2 Fe1 C3 39.8(2) . . ?
C8 Fe1 C3 161.9(3) . . ?
C6 Fe1 C3 121.5(2) . . ?
C9 Fe1 C3 124.8(2) . . ?
C7 Fe1 C3 156.2(3) . . ?
C1 Fe1 C4 69.4(2) . . ?
C5 Fe1 C4 41.45(19) . . ?
C2 Fe1 C4 68.2(2) . . ?
C8 Fe1 C4 155.3(2) . . ?
C6 Fe1 C4 110.8(2) . . ?
C9 Fe1 C4 163.9(2) . . ?
C7 Fe1 C4 122.6(2) . . ?
C3 Fe1 C4 40.8(2) . . ?
C1 Fe1 C10 150.0(2) . . ?
C5 Fe1 C10 166.64(19) . . ?
C2 Fe1 C10 116.4(2) . . ?
C8 Fe1 C10 69.0(2) . . ?
C6 Fe1 C10 41.13(19) . . ?
C9 Fe1 C10 41.6(2) . . ?
C7 Fe1 C10 68.3(2) . . ?
C3 Fe1 C10 106.6(2) . . ?
C4 Fe1 C10 127.2(2) . . ?
Pd1 Cl2 Pd1 95.31(5) . 2_776 ?
C5 P1 C11 105.3(2) . . ?
C5 P1 C17 106.5(2) . . ?
C11 P1 C17 106.6(2) . . ?
C5 P1 Pd1 111.26(15) . . ?
C11 P1 Pd1 118.09(18) . . ?
C17 P1 Pd1 108.41(15) . . ?
O1 P2 C10 109.7(2) . . ?
O1 P2 C23 106.3(3) . . ?
C10 P2 C23 112.6(2) . . ?
O1 P2 C29 110.9(2) . . ?
C10 P2 C29 107.2(2) . . ?
C23 P2 C29 110.2(2) . . ?
C2 C1 C5 107.7(5) . . ?
C2 C1 Fe1 70.2(3) . . ?
C5 C1 Fe1 69.7(3) . . ?
C3 C2 C1 109.5(5) . . ?
C3 C2 Fe1 70.7(3) . . ?
C1 C2 Fe1 69.1(3) . . ?
C2 C3 C4 108.7(5) . . ?
C2 C3 Fe1 69.6(3) . . ?
C4 C3 Fe1 69.7(3) . . ?
C3 C4 C5 106.9(5) . . ?
C3 C4 Fe1 69.5(3) . . ?
C5 C4 Fe1 68.6(3) . . ?
C1 C5 C4 107.2(4) . . ?
C1 C5 P1 125.9(4) . . ?
C4 C5 P1 127.0(4) . . ?
C1 C5 Fe1 68.8(3) . . ?
C4 C5 Fe1 70.0(3) . . ?
P1 C5 Fe1 126.5(2) . . ?
C7 C6 C10 109.5(5) . . ?
C7 C6 Fe1 70.6(3) . . ?
C10 C6 Fe1 70.0(3) . . ?
C6 C7 C8 109.0(5) . . ?
C6 C7 Fe1 69.9(3) . . ?
C8 C7 Fe1 69.5(3) . . ?
C7 C8 C9 108.4(5) . . ?
C7 C8 Fe1 70.3(3) . . ?
C9 C8 Fe1 69.9(3) . . ?
C8 C9 C10 108.0(5) . . ?
C8 C9 Fe1 69.6(3) . . ?
C10 C9 Fe1 69.7(3) . . ?
C6 C10 C9 105.2(4) . . ?
C6 C10 P2 127.1(4) . . ?
C9 C10 P2 127.7(4) . . ?
C6 C10 Fe1 68.9(2) . . ?
C9 C10 Fe1 68.7(3) . . ?
P2 C10 Fe1 128.5(3) . . ?
C16 C11 C12 117.6(5) . . ?
C16 C11 P1 121.7(4) . . ?
C12 C11 P1 120.7(5) . . ?
C11 C12 C13 119.7(7) . . ?
C14 C13 C12 120.6(8) . . ?
C13 C14 C15 119.9(7) . . ?
C14 C15 C16 120.4(7) . . ?
C11 C16 C15 121.6(5) . . ?
C18 C17 C22 119.0(5) . . ?
C18 C17 P1 121.6(4) . . ?
C22 C17 P1 119.4(4) . . ?
C17 C18 C19 119.2(6) . . ?
C20 C19 C18 120.8(6) . . ?
C19 C20 C21 120.3(6) . . ?
C20 C21 C22 120.2(6) . . ?
C17 C22 C21 120.4(6) . . ?
C24 C23 C28 118.5(6) . . ?
C24 C23 P2 121.4(5) . . ?
C28 C23 P2 120.0(5) . . ?
C23 C24 C25 119.2(9) . . ?
C24 C25 C26 118.1(9) . . ?
C27 C26 C25 121.9(8) . . ?
C26 C27 C28 120.8(10) . . ?
C27 C28 C23 121.5(9) . . ?
C30 C29 C34 117.1(5) . . ?
C30 C29 P2 121.8(4) . . ?
C34 C29 P2 121.0(4) . . ?
C29 C30 C31 120.4(6) . . ?
C32 C31 C30 120.2(6) . . ?
C31 C32 C33 120.3(6) . . ?
C32 C33 C34 120.7(7) . . ?
C33 C34 C29 121.2(6) . . ?
C37 O2 C36 117.4(16) 2_867 . ?
C35 C36 O2 117.1(13) . . ?
O2 C37 C38 120(2) 2_867 . ?
 
_diffrn_measured_fraction_theta_max    0.966
_diffrn_reflns_theta_full              27.48
_diffrn_measured_fraction_theta_full   0.986
_refine_diff_density_max    0.883
_refine_diff_density_min   -1.343
_refine_diff_density_rms    0.128
