#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:12:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179780 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/76/7007679.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7007679
loop_
_publ_author_name
'Xu, Chen'
'Gong, Jun-Fang'
'Yue, Su-Fang'
'Zhu, Yu'
'Wu, Yang-Jie'
_publ_section_title
;
 Tricyclohexylphosphine-cyclopalladated ferrocenylimine complexes:
 synthesis, crystal structures and application in Suzuki and Heck
 reactions.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4730
_journal_page_last               4739
_journal_paper_doi               10.1039/b608825b
_journal_year                    2006
_chemical_formula_sum            'C35 H53 Cl Fe N P Pd'
_chemical_formula_weight         716.45
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.72(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.668(2)
_cell_length_b                   14.320(3)
_cell_length_c                   22.676(5)
_cell_measurement_reflns_used    378
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      25.1
_cell_measurement_theta_min      2
_cell_volume                     3379.1(13)
_computing_cell_refinement       raxis
_computing_data_collection       raxis
_computing_data_reduction        raxis
_computing_molecular_graphics    texsan
_computing_publication_material  texsan
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.918
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measurement_device_type  R-AXIS-IV
_diffrn_measurement_method       'Oscillation frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_av_sigmaI/netI    0.0413
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            9523
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.69
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.112
_exptl_absorpt_correction_T_max  0.8335
_exptl_absorpt_correction_T_min  0.8082
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1496
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.699
_refine_diff_density_min         -0.592
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         5461
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0503
_refine_ls_R_factor_gt           0.0317
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0345P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0663
_refine_ls_wR_factor_ref         0.0696
_reflns_number_gt                4527
_reflns_number_total             5461
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b608825b.txt
_cod_data_source_block           p21n_2c
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        3379.1(12)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7007679
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.38785(2) 0.292891(15) 0.162872(10) 0.03498(8) Uani 1 1 d . . .
Fe1 Fe 0.30173(4) 0.19362(3) 0.29134(2) 0.04299(12) Uani 1 1 d . . .
P1 P 0.25745(7) 0.24470(5) 0.07520(3) 0.03339(18) Uani 1 1 d . . .
Cl1 Cl 0.41282(10) 0.44601(6) 0.12550(4) 0.0676(3) Uani 1 1 d . . .
N1 N 0.5473(2) 0.31370(16) 0.23818(11) 0.0393(6) Uani 1 1 d . . .
C1 C 0.1901(7) 0.3090(4) 0.2892(2) 0.0985(18) Uani 1 1 d . . .
H1A H 0.1597 0.3487 0.2538 0.118 Uiso 1 1 calc R . .
C2 C 0.1284(5) 0.2347(4) 0.3040(3) 0.1015(17) Uani 1 1 d . . .
H2A H 0.0451 0.2115 0.2815 0.122 Uiso 1 1 calc R . .
C3 C 0.1990(7) 0.1972(3) 0.3560(3) 0.0997(19) Uani 1 1 d . . .
H3A H 0.1747 0.1429 0.3774 0.120 Uiso 1 1 calc R . .
C4 C 0.3076(6) 0.2494(5) 0.3741(2) 0.1080(19) Uani 1 1 d . . .
H4A H 0.3751 0.2402 0.4106 0.130 Uiso 1 1 calc R . .
C5 C 0.3019(7) 0.3210(4) 0.3308(4) 0.116(3) Uani 1 1 d . . .
H5A H 0.3649 0.3710 0.3314 0.140 Uiso 1 1 calc R . .
C6 C 0.3661(3) 0.18011(19) 0.21149(13) 0.0367(7) Uani 1 1 d . . .
C7 C 0.2767(3) 0.1078(2) 0.21752(14) 0.0444(8) Uani 1 1 d . . .
H7A H 0.1947 0.0962 0.1891 0.053 Uiso 1 1 calc R . .
C8 C 0.3241(3) 0.0570(2) 0.27163(15) 0.0506(9) Uani 1 1 d . . .
H8A H 0.2811 0.0041 0.2862 0.061 Uiso 1 1 calc R . .
C9 C 0.4421(3) 0.0963(2) 0.30130(15) 0.0510(9) Uani 1 1 d . . .
H9A H 0.4966 0.0751 0.3395 0.061 Uiso 1 1 calc R . .
C10 C 0.4680(3) 0.1729(2) 0.26482(14) 0.0417(7) Uani 1 1 d . . .
C11 C 0.5611(3) 0.2472(2) 0.27639(14) 0.0447(8) Uani 1 1 d . . .
H11A H 0.6285 0.2466 0.3103 0.054 Uiso 1 1 calc R . .
C12 C 0.6335(3) 0.3956(2) 0.24700(14) 0.0458(8) Uani 1 1 d . . .
H12A H 0.6349 0.4192 0.2066 0.055 Uiso 1 1 calc R . .
C13 C 0.5769(3) 0.4724(2) 0.27882(17) 0.0617(10) Uani 1 1 d . . .
H13A H 0.5748 0.4524 0.3195 0.074 Uiso 1 1 calc R . .
H13B H 0.4894 0.4848 0.2573 0.074 Uiso 1 1 calc R . .
C14 C 0.6570(4) 0.5619(3) 0.2818(2) 0.0786(12) Uani 1 1 d . . .
H14A H 0.6505 0.5858 0.2412 0.094 Uiso 1 1 calc R . .
H14B H 0.6228 0.6088 0.3048 0.094 Uiso 1 1 calc R . .
C15 C 0.7963(4) 0.5441(3) 0.31087(19) 0.0785(13) Uani 1 1 d . . .
H15A H 0.8456 0.6006 0.3090 0.094 Uiso 1 1 calc R . .
H15B H 0.8040 0.5283 0.3531 0.094 Uiso 1 1 calc R . .
C16 C 0.8504(4) 0.4659(3) 0.2797(2) 0.0759(12) Uani 1 1 d . . .
H16A H 0.9384 0.4539 0.3007 0.091 Uiso 1 1 calc R . .
H16B H 0.8512 0.4846 0.2386 0.091 Uiso 1 1 calc R . .
C17 C 0.7719(3) 0.3767(3) 0.27815(18) 0.0668(11) Uani 1 1 d . . .
H17A H 0.8071 0.3284 0.2566 0.080 Uiso 1 1 calc R . .
H17B H 0.7760 0.3550 0.3191 0.080 Uiso 1 1 calc R . .
C18 C 0.0871(3) 0.27926(19) 0.06424(13) 0.0365(7) Uani 1 1 d . . .
H18A H 0.0435 0.2611 0.0232 0.044 Uiso 1 1 calc R . .
C19 C 0.0180(3) 0.2311(2) 0.10827(15) 0.0486(8) Uani 1 1 d . . .
H19A H 0.0617 0.2456 0.1495 0.058 Uiso 1 1 calc R . .
H19B H 0.0208 0.1640 0.1029 0.058 Uiso 1 1 calc R . .
C20 C -0.1223(3) 0.2632(2) 0.09766(18) 0.0629(11) Uani 1 1 d . . .
H20A H -0.1679 0.2427 0.0579 0.075 Uiso 1 1 calc R . .
H20B H -0.1626 0.2339 0.1274 0.075 Uiso 1 1 calc R . .
C21 C -0.1341(4) 0.3681(2) 0.10195(18) 0.0645(10) Uani 1 1 d . . .
H21A H -0.0967 0.3884 0.1429 0.077 Uiso 1 1 calc R . .
H21B H -0.2241 0.3857 0.0926 0.077 Uiso 1 1 calc R . .
C22 C -0.0657(3) 0.4157(2) 0.05809(16) 0.0558(9) Uani 1 1 d . . .
H22A H -0.0705 0.4829 0.0626 0.067 Uiso 1 1 calc R . .
H22B H -0.1084 0.3998 0.0170 0.067 Uiso 1 1 calc R . .
C23 C 0.0749(3) 0.3861(2) 0.06934(15) 0.0482(8) Uani 1 1 d . . .
H23A H 0.1192 0.4061 0.1094 0.058 Uiso 1 1 calc R . .
H23B H 0.1155 0.4162 0.0401 0.058 Uiso 1 1 calc R . .
C24 C 0.2554(3) 0.11622(19) 0.06251(13) 0.0367(7) Uani 1 1 d . . .
H24A H 0.2077 0.0898 0.0909 0.044 Uiso 1 1 calc R . .
C25 C 0.1843(3) 0.0835(2) -0.00025(14) 0.0490(8) Uani 1 1 d . . .
H25A H 0.2299 0.1048 -0.0303 0.059 Uiso 1 1 calc R . .
H25B H 0.0988 0.1104 -0.0098 0.059 Uiso 1 1 calc R . .
C26 C 0.1744(3) -0.0232(2) -0.00221(18) 0.0654(11) Uani 1 1 d . . .
H26A H 0.1227 -0.0440 0.0255 0.078 Uiso 1 1 calc R . .
H26B H 0.1319 -0.0429 -0.0426 0.078 Uiso 1 1 calc R . .
C27 C 0.3068(4) -0.0683(2) 0.01492(18) 0.0673(11) Uani 1 1 d . . .
H27A H 0.2973 -0.1356 0.0161 0.081 Uiso 1 1 calc R . .
H27B H 0.3547 -0.0537 -0.0157 0.081 Uiso 1 1 calc R . .
C28 C 0.3806(3) -0.0346(2) 0.07539(17) 0.0563(9) Uani 1 1 d . . .
H28A H 0.4668 -0.0603 0.0831 0.068 Uiso 1 1 calc R . .
H28B H 0.3393 -0.0574 0.1067 0.068 Uiso 1 1 calc R . .
C29 C 0.3888(3) 0.0715(2) 0.07885(15) 0.0437(8) Uani 1 1 d . . .
H29A H 0.4400 0.0939 0.0513 0.052 Uiso 1 1 calc R . .
H29B H 0.4313 0.0901 0.1195 0.052 Uiso 1 1 calc R . .
C30 C 0.3125(3) 0.3038(2) 0.01252(12) 0.0372(7) Uani 1 1 d . . .
H30A H 0.3211 0.3694 0.0249 0.045 Uiso 1 1 calc R . .
C31 C 0.2244(3) 0.3066(2) -0.05096(13) 0.0455(8) Uani 1 1 d . . .
H31A H 0.2182 0.2449 -0.0690 0.055 Uiso 1 1 calc R . .
H31B H 0.1388 0.3265 -0.0484 0.055 Uiso 1 1 calc R . .
C32 C 0.2809(3) 0.3751(2) -0.08971(14) 0.0489(8) Uani 1 1 d . . .
H32A H 0.2265 0.3769 -0.1300 0.059 Uiso 1 1 calc R . .
H32B H 0.2822 0.4372 -0.0725 0.059 Uiso 1 1 calc R . .
C33 C 0.4151(3) 0.3484(2) -0.09382(15) 0.0543(9) Uani 1 1 d . . .
H33A H 0.4484 0.3943 -0.1178 0.065 Uiso 1 1 calc R . .
H33B H 0.4134 0.2883 -0.1138 0.065 Uiso 1 1 calc R . .
C34 C 0.5031(3) 0.3428(3) -0.03075(16) 0.0563(9) Uani 1 1 d . . .
H34A H 0.5879 0.3222 -0.0341 0.068 Uiso 1 1 calc R . .
H34B H 0.5116 0.4043 -0.0124 0.068 Uiso 1 1 calc R . .
C35 C 0.4492(3) 0.2750(2) 0.00940(15) 0.0501(8) Uani 1 1 d . . .
H35A H 0.5037 0.2749 0.0497 0.060 Uiso 1 1 calc R . .
H35B H 0.4482 0.2122 -0.0068 0.060 Uiso 1 1 calc R . .
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'
N N 0.0061 0.0033 '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'
Fe Fe 0.3463 0.8444 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C6 Pd1 N1 80.87(11) . . ?
C6 Pd1 P1 96.58(9) . . ?
N1 Pd1 P1 164.54(7) . . ?
C6 Pd1 Cl1 167.00(8) . . ?
N1 Pd1 Cl1 91.38(7) . . ?
P1 Pd1 Cl1 93.62(3) . . ?
C3 Fe1 C10 151.1(2) . . ?
C3 Fe1 C2 39.5(2) . . ?
C10 Fe1 C2 168.0(2) . . ?
C3 Fe1 C9 116.37(19) . . ?
C10 Fe1 C9 41.68(12) . . ?
C2 Fe1 C9 149.7(2) . . ?
C3 Fe1 C4 39.4(2) . . ?
C10 Fe1 C4 119.0(2) . . ?
C2 Fe1 C4 66.2(2) . . ?
C9 Fe1 C4 107.27(19) . . ?
C3 Fe1 C5 66.73(19) . . ?
C10 Fe1 C5 110.37(16) . . ?
C2 Fe1 C5 65.7(2) . . ?
C9 Fe1 C5 129.9(3) . . ?
C4 Fe1 C5 40.7(2) . . ?
C3 Fe1 C1 65.57(19) . . ?
C10 Fe1 C1 131.5(2) . . ?
C2 Fe1 C1 38.4(2) . . ?
C9 Fe1 C1 168.4(3) . . ?
C4 Fe1 C1 66.4(2) . . ?
C5 Fe1 C1 39.1(2) . . ?
C3 Fe1 C8 107.04(17) . . ?
C10 Fe1 C8 68.84(13) . . ?
C2 Fe1 C8 117.8(2) . . ?
C9 Fe1 C8 40.63(13) . . ?
C4 Fe1 C8 127.0(2) . . ?
C5 Fe1 C8 166.5(3) . . ?
C1 Fe1 C8 151.0(3) . . ?
C3 Fe1 C7 128.1(2) . . ?
C10 Fe1 C7 68.42(13) . . ?
C2 Fe1 C7 109.39(18) . . ?
C9 Fe1 C7 68.74(14) . . ?
C4 Fe1 C7 164.9(3) . . ?
C5 Fe1 C7 152.5(3) . . ?
C1 Fe1 C7 119.9(2) . . ?
C8 Fe1 C7 40.77(12) . . ?
C3 Fe1 C6 166.3(2) . . ?
C10 Fe1 C6 41.12(12) . . ?
C2 Fe1 C6 129.6(2) . . ?
C9 Fe1 C6 69.82(12) . . ?
C4 Fe1 C6 153.2(3) . . ?
C5 Fe1 C6 119.86(19) . . ?
C1 Fe1 C6 111.05(16) . . ?
C8 Fe1 C6 69.04(11) . . ?
C7 Fe1 C6 40.64(11) . . ?
C18 P1 C30 104.05(13) . . ?
C18 P1 C24 105.45(13) . . ?
C30 P1 C24 109.07(13) . . ?
C18 P1 Pd1 115.58(10) . . ?
C30 P1 Pd1 107.21(10) . . ?
C24 P1 Pd1 114.85(10) . . ?
C11 N1 C12 121.8(3) . . ?
C11 N1 Pd1 112.9(2) . . ?
C12 N1 Pd1 125.33(19) . . ?
C2 C1 C5 109.5(5) . . ?
C2 C1 Fe1 70.3(3) . . ?
C5 C1 Fe1 70.5(3) . . ?
C2 C1 H1A 125.3 . . ?
C5 C1 H1A 125.3 . . ?
Fe1 C1 H1A 125.3 . . ?
C1 C2 C3 108.8(5) . . ?
C1 C2 Fe1 71.3(3) . . ?
C3 C2 Fe1 70.1(3) . . ?
C1 C2 H2A 125.6 . . ?
C3 C2 H2A 125.6 . . ?
Fe1 C2 H2A 125.6 . . ?
C2 C3 C4 108.4(5) . . ?
C2 C3 Fe1 70.5(3) . . ?
C4 C3 Fe1 70.8(3) . . ?
C2 C3 H3A 125.8 . . ?
C4 C3 H3A 125.8 . . ?
Fe1 C3 H3A 125.8 . . ?
C3 C4 C5 106.6(5) . . ?
C3 C4 Fe1 69.8(3) . . ?
C5 C4 Fe1 69.8(3) . . ?
C3 C4 H4A 126.7 . . ?
C5 C4 H4A 126.7 . . ?
Fe1 C4 H4A 126.7 . . ?
C1 C5 C4 106.7(5) . . ?
C1 C5 Fe1 70.5(3) . . ?
C4 C5 Fe1 69.5(3) . . ?
C1 C5 H5A 126.6 . . ?
C4 C5 H5A 126.6 . . ?
Fe1 C5 H5A 126.6 . . ?
C7 C6 C10 105.2(3) . . ?
C7 C6 Pd1 142.8(2) . . ?
C10 C6 Pd1 111.3(2) . . ?
C7 C6 Fe1 68.32(16) . . ?
C10 C6 Fe1 66.97(16) . . ?
Pd1 C6 Fe1 120.35(13) . . ?
C8 C7 C6 109.6(3) . . ?
C8 C7 Fe1 69.13(18) . . ?
C6 C7 Fe1 71.04(17) . . ?
C8 C7 H7A 125.2 . . ?
C6 C7 H7A 125.2 . . ?
Fe1 C7 H7A 125.2 . . ?
C9 C8 C7 108.5(3) . . ?
C9 C8 Fe1 69.23(18) . . ?
C7 C8 Fe1 70.10(17) . . ?
C9 C8 H8A 125.7 . . ?
C7 C8 H8A 125.7 . . ?
Fe1 C8 H8A 125.7 . . ?
C8 C9 C10 107.2(3) . . ?
C8 C9 Fe1 70.14(19) . . ?
C10 C9 Fe1 68.97(17) . . ?
C8 C9 H9A 126.4 . . ?
C10 C9 H9A 126.4 . . ?
Fe1 C9 H9A 126.4 . . ?
C9 C10 C11 132.2(3) . . ?
C9 C10 C6 109.5(3) . . ?
C11 C10 C6 117.5(3) . . ?
C9 C10 Fe1 69.35(18) . . ?
C11 C10 Fe1 117.0(2) . . ?
C6 C10 Fe1 71.91(16) . . ?
N1 C11 C10 117.2(3) . . ?
N1 C11 H11A 121.4 . . ?
C10 C11 H11A 121.4 . . ?
N1 C12 C13 109.9(2) . . ?
N1 C12 C17 115.8(3) . . ?
C13 C12 C17 111.0(3) . . ?
N1 C12 H12A 106.5 . . ?
C13 C12 H12A 106.5 . . ?
C17 C12 H12A 106.5 . . ?
C12 C13 C14 110.6(3) . . ?
C12 C13 H13A 109.5 . . ?
C14 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C14 C13 H13B 109.5 . . ?
H13A C13 H13B 108.1 . . ?
C15 C14 C13 111.4(3) . . ?
C15 C14 H14A 109.4 . . ?
C13 C14 H14A 109.4 . . ?
C15 C14 H14B 109.4 . . ?
C13 C14 H14B 109.4 . . ?
H14A C14 H14B 108.0 . . ?
C16 C15 C14 111.2(3) . . ?
C16 C15 H15A 109.4 . . ?
C14 C15 H15A 109.4 . . ?
C16 C15 H15B 109.4 . . ?
C14 C15 H15B 109.4 . . ?
H15A C15 H15B 108.0 . . ?
C15 C16 C17 111.6(3) . . ?
C15 C16 H16A 109.3 . . ?
C17 C16 H16A 109.3 . . ?
C15 C16 H16B 109.3 . . ?
C17 C16 H16B 109.3 . . ?
H16A C16 H16B 108.0 . . ?
C12 C17 C16 109.6(3) . . ?
C12 C17 H17A 109.7 . . ?
C16 C17 H17A 109.7 . . ?
C12 C17 H17B 109.7 . . ?
C16 C17 H17B 109.7 . . ?
H17A C17 H17B 108.2 . . ?
C19 C18 C23 109.7(2) . . ?
C19 C18 P1 113.1(2) . . ?
C23 C18 P1 110.7(2) . . ?
C19 C18 H18A 107.7 . . ?
C23 C18 H18A 107.7 . . ?
P1 C18 H18A 107.7 . . ?
C18 C19 C20 110.9(3) . . ?
C18 C19 H19A 109.5 . . ?
C20 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C20 C19 H19B 109.5 . . ?
H19A C19 H19B 108.0 . . ?
C21 C20 C19 112.3(3) . . ?
C21 C20 H20A 109.1 . . ?
C19 C20 H20A 109.1 . . ?
C21 C20 H20B 109.1 . . ?
C19 C20 H20B 109.1 . . ?
H20A C20 H20B 107.9 . . ?
C20 C21 C22 110.2(3) . . ?
C20 C21 H21A 109.6 . . ?
C22 C21 H21A 109.6 . . ?
C20 C21 H21B 109.6 . . ?
C22 C21 H21B 109.6 . . ?
H21A C21 H21B 108.1 . . ?
C21 C22 C23 111.2(3) . . ?
C21 C22 H22A 109.4 . . ?
C23 C22 H22A 109.4 . . ?
C21 C22 H22B 109.4 . . ?
C23 C22 H22B 109.4 . . ?
H22A C22 H22B 108.0 . . ?
C22 C23 C18 111.1(3) . . ?
C22 C23 H23A 109.4 . . ?
C18 C23 H23A 109.4 . . ?
C22 C23 H23B 109.4 . . ?
C18 C23 H23B 109.4 . . ?
H23A C23 H23B 108.0 . . ?
C29 C24 C25 110.0(2) . . ?
C29 C24 P1 113.4(2) . . ?
C25 C24 P1 115.6(2) . . ?
C29 C24 H24A 105.6 . . ?
C25 C24 H24A 105.6 . . ?
P1 C24 H24A 105.6 . . ?
C24 C25 C26 110.4(3) . . ?
C24 C25 H25A 109.6 . . ?
C26 C25 H25A 109.6 . . ?
C24 C25 H25B 109.6 . . ?
C26 C25 H25B 109.6 . . ?
H25A C25 H25B 108.1 . . ?
C27 C26 C25 111.2(3) . . ?
C27 C26 H26A 109.4 . . ?
C25 C26 H26A 109.4 . . ?
C27 C26 H26B 109.4 . . ?
C25 C26 H26B 109.4 . . ?
H26A C26 H26B 108.0 . . ?
C28 C27 C26 111.5(3) . . ?
C28 C27 H27A 109.3 . . ?
C26 C27 H27A 109.3 . . ?
C28 C27 H27B 109.3 . . ?
C26 C27 H27B 109.3 . . ?
H27A C27 H27B 108.0 . . ?
C27 C28 C29 112.3(3) . . ?
C27 C28 H28A 109.1 . . ?
C29 C28 H28A 109.1 . . ?
C27 C28 H28B 109.1 . . ?
C29 C28 H28B 109.1 . . ?
H28A C28 H28B 107.9 . . ?
C28 C29 C24 111.4(3) . . ?
C28 C29 H29A 109.3 . . ?
C24 C29 H29A 109.3 . . ?
C28 C29 H29B 109.3 . . ?
C24 C29 H29B 109.3 . . ?
H29A C29 H29B 108.0 . . ?
C35 C30 C31 110.9(2) . . ?
C35 C30 P1 112.2(2) . . ?
C31 C30 P1 119.8(2) . . ?
C35 C30 H30A 104.0 . . ?
C31 C30 H30A 104.0 . . ?
P1 C30 H30A 104.0 . . ?
C32 C31 C30 108.6(2) . . ?
C32 C31 H31A 110.0 . . ?
C30 C31 H31A 110.0 . . ?
C32 C31 H31B 110.0 . . ?
C30 C31 H31B 110.0 . . ?
H31A C31 H31B 108.4 . . ?
C33 C32 C31 112.0(3) . . ?
C33 C32 H32A 109.2 . . ?
C31 C32 H32A 109.2 . . ?
C33 C32 H32B 109.2 . . ?
C31 C32 H32B 109.2 . . ?
H32A C32 H32B 107.9 . . ?
C32 C33 C34 110.6(3) . . ?
C32 C33 H33A 109.5 . . ?
C34 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
C34 C33 H33B 109.5 . . ?
H33A C33 H33B 108.1 . . ?
C35 C34 C33 110.8(3) . . ?
C35 C34 H34A 109.5 . . ?
C33 C34 H34A 109.5 . . ?
C35 C34 H34B 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 108.1 . . ?
C34 C35 C30 110.1(3) . . ?
C34 C35 H35A 109.6 . . ?
C30 C35 H35A 109.6 . . ?
C34 C35 H35B 109.6 . . ?
C30 C35 H35B 109.6 . . ?
H35A C35 H35B 108.2 . . ?
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 C6 1.998(3) . ?
Pd1 N1 2.150(3) . ?
Pd1 P1 2.2685(10) . ?
Pd1 Cl1 2.3868(9) . ?
Fe1 C3 2.015(4) . ?
Fe1 C10 2.016(3) . ?
Fe1 C2 2.020(4) . ?
Fe1 C9 2.021(3) . ?
Fe1 C4 2.027(4) . ?
Fe1 C5 2.031(4) . ?
Fe1 C1 2.031(4) . ?
Fe1 C8 2.033(3) . ?
Fe1 C7 2.046(3) . ?
Fe1 C6 2.082(3) . ?
P1 C18 1.847(3) . ?
P1 C30 1.857(3) . ?
P1 C24 1.862(3) . ?
N1 C11 1.274(4) . ?
N1 C12 1.476(4) . ?
C1 C2 1.332(7) . ?
C1 C5 1.359(7) . ?
C1 H1A 0.9800 . ?
C2 C3 1.362(7) . ?
C2 H2A 0.9800 . ?
C3 C4 1.364(7) . ?
C3 H3A 0.9800 . ?
C4 C5 1.411(8) . ?
C4 H4A 0.9800 . ?
C5 H5A 0.9800 . ?
C6 C7 1.434(4) . ?
C6 C10 1.440(4) . ?
C7 C8 1.421(4) . ?
C7 H7A 0.9800 . ?
C8 C9 1.408(5) . ?
C8 H8A 0.9800 . ?
C9 C10 1.436(4) . ?
C9 H9A 0.9800 . ?
C10 C11 1.440(4) . ?
C11 H11A 0.9300 . ?
C12 C13 1.513(4) . ?
C12 C17 1.513(5) . ?
C12 H12A 0.9800 . ?
C13 C14 1.533(5) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.509(5) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.506(6) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.524(5) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C19 1.530(4) . ?
C18 C23 1.541(4) . ?
C18 H18A 0.9800 . ?
C19 C20 1.533(4) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.513(5) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.519(4) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C23 1.525(4) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 C29 1.530(4) . ?
C24 C25 1.531(4) . ?
C24 H24A 0.9800 . ?
C25 C26 1.532(4) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 C27 1.524(5) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C28 1.502(5) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 C29 1.523(4) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 C35 1.531(4) . ?
C30 C31 1.537(4) . ?
C30 H30A 0.9800 . ?
C31 C32 1.527(4) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C33 1.504(4) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.531(5) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 C35 1.528(4) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 Pd1 P1 C18 90.72(13) . . . . ?
N1 Pd1 P1 C18 170.2(3) . . . . ?
Cl1 Pd1 P1 C18 -81.20(10) . . . . ?
C6 Pd1 P1 C30 -153.81(13) . . . . ?
N1 Pd1 P1 C30 -74.3(3) . . . . ?
Cl1 Pd1 P1 C30 34.28(10) . . . . ?
C6 Pd1 P1 C24 -32.45(13) . . . . ?
N1 Pd1 P1 C24 47.0(3) . . . . ?
Cl1 Pd1 P1 C24 155.64(10) . . . . ?
C6 Pd1 N1 C11 3.3(2) . . . . ?
P1 Pd1 N1 C11 -78.3(3) . . . . ?
Cl1 Pd1 N1 C11 172.8(2) . . . . ?
C6 Pd1 N1 C12 -176.0(2) . . . . ?
P1 Pd1 N1 C12 102.4(3) . . . . ?
Cl1 Pd1 N1 C12 -6.5(2) . . . . ?
C3 Fe1 C1 C2 -37.6(4) . . . . ?
C10 Fe1 C1 C2 170.4(3) . . . . ?
C9 Fe1 C1 C2 -140.0(8) . . . . ?
C4 Fe1 C1 C2 -81.0(4) . . . . ?
C5 Fe1 C1 C2 -120.2(5) . . . . ?
C8 Fe1 C1 C2 43.5(6) . . . . ?
C7 Fe1 C1 C2 83.7(4) . . . . ?
C6 Fe1 C1 C2 127.9(4) . . . . ?
C3 Fe1 C1 C5 82.6(4) . . . . ?
C10 Fe1 C1 C5 -69.4(4) . . . . ?
C2 Fe1 C1 C5 120.2(5) . . . . ?
C9 Fe1 C1 C5 -19.8(10) . . . . ?
C4 Fe1 C1 C5 39.2(3) . . . . ?
C8 Fe1 C1 C5 163.7(4) . . . . ?
C7 Fe1 C1 C5 -156.1(3) . . . . ?
C6 Fe1 C1 C5 -111.9(3) . . . . ?
C5 C1 C2 C3 0.5(5) . . . . ?
Fe1 C1 C2 C3 60.3(3) . . . . ?
C5 C1 C2 Fe1 -59.8(3) . . . . ?
C3 Fe1 C2 C1 119.0(5) . . . . ?
C10 Fe1 C2 C1 -36.7(10) . . . . ?
C9 Fe1 C2 C1 165.1(4) . . . . ?
C4 Fe1 C2 C1 81.5(4) . . . . ?
C5 Fe1 C2 C1 36.7(3) . . . . ?
C8 Fe1 C2 C1 -157.8(4) . . . . ?
C7 Fe1 C2 C1 -114.0(4) . . . . ?
C6 Fe1 C2 C1 -72.9(4) . . . . ?
C10 Fe1 C2 C3 -155.7(7) . . . . ?
C9 Fe1 C2 C3 46.1(5) . . . . ?
C4 Fe1 C2 C3 -37.6(3) . . . . ?
C5 Fe1 C2 C3 -82.3(4) . . . . ?
C1 Fe1 C2 C3 -119.0(5) . . . . ?
C8 Fe1 C2 C3 83.1(4) . . . . ?
C7 Fe1 C2 C3 126.9(3) . . . . ?
C6 Fe1 C2 C3 168.1(3) . . . . ?
C1 C2 C3 C4 -0.2(5) . . . . ?
Fe1 C2 C3 C4 60.9(3) . . . . ?
C1 C2 C3 Fe1 -61.0(3) . . . . ?
C10 Fe1 C3 C2 169.8(3) . . . . ?
C9 Fe1 C3 C2 -156.1(3) . . . . ?
C4 Fe1 C3 C2 118.6(5) . . . . ?
C5 Fe1 C3 C2 79.5(4) . . . . ?
C1 Fe1 C3 C2 36.6(3) . . . . ?
C8 Fe1 C3 C2 -113.3(4) . . . . ?
C7 Fe1 C3 C2 -73.3(4) . . . . ?
C6 Fe1 C3 C2 -42.1(8) . . . . ?
C10 Fe1 C3 C4 51.2(5) . . . . ?
C2 Fe1 C3 C4 -118.6(5) . . . . ?
C9 Fe1 C3 C4 85.3(4) . . . . ?
C5 Fe1 C3 C4 -39.1(4) . . . . ?
C1 Fe1 C3 C4 -82.0(4) . . . . ?
C8 Fe1 C3 C4 128.1(4) . . . . ?
C7 Fe1 C3 C4 168.1(3) . . . . ?
C6 Fe1 C3 C4 -160.6(6) . . . . ?
C2 C3 C4 C5 -0.2(5) . . . . ?
Fe1 C3 C4 C5 60.4(3) . . . . ?
C2 C3 C4 Fe1 -60.7(3) . . . . ?
C10 Fe1 C4 C3 -154.6(3) . . . . ?
C2 Fe1 C4 C3 37.6(3) . . . . ?
C9 Fe1 C4 C3 -110.8(4) . . . . ?
C5 Fe1 C4 C3 117.3(5) . . . . ?
C1 Fe1 C4 C3 79.7(4) . . . . ?
C8 Fe1 C4 C3 -70.3(4) . . . . ?
C7 Fe1 C4 C3 -38.6(9) . . . . ?
C6 Fe1 C4 C3 170.0(3) . . . . ?
C3 Fe1 C4 C5 -117.3(5) . . . . ?
C10 Fe1 C4 C5 88.1(4) . . . . ?
C2 Fe1 C4 C5 -79.8(4) . . . . ?
C9 Fe1 C4 C5 131.9(4) . . . . ?
C1 Fe1 C4 C5 -37.7(3) . . . . ?
C8 Fe1 C4 C5 172.4(3) . . . . ?
C7 Fe1 C4 C5 -155.9(6) . . . . ?
C6 Fe1 C4 C5 52.6(6) . . . . ?
C2 C1 C5 C4 -0.7(5) . . . . ?
Fe1 C1 C5 C4 -60.4(3) . . . . ?
C2 C1 C5 Fe1 59.7(3) . . . . ?
C3 C4 C5 C1 0.6(5) . . . . ?
Fe1 C4 C5 C1 61.0(3) . . . . ?
C3 C4 C5 Fe1 -60.4(3) . . . . ?
C3 Fe1 C5 C1 -79.4(3) . . . . ?
C10 Fe1 C5 C1 131.6(3) . . . . ?
C2 Fe1 C5 C1 -36.1(3) . . . . ?
C9 Fe1 C5 C1 174.9(3) . . . . ?
C4 Fe1 C5 C1 -117.3(4) . . . . ?
C8 Fe1 C5 C1 -144.3(7) . . . . ?
C7 Fe1 C5 C1 49.5(5) . . . . ?
C6 Fe1 C5 C1 87.1(3) . . . . ?
C3 Fe1 C5 C4 37.9(3) . . . . ?
C10 Fe1 C5 C4 -111.1(4) . . . . ?
C2 Fe1 C5 C4 81.2(3) . . . . ?
C9 Fe1 C5 C4 -67.8(4) . . . . ?
C1 Fe1 C5 C4 117.3(4) . . . . ?
C8 Fe1 C5 C4 -27.0(9) . . . . ?
C7 Fe1 C5 C4 166.7(3) . . . . ?
C6 Fe1 C5 C4 -155.6(3) . . . . ?
N1 Pd1 C6 C7 165.3(4) . . . . ?
P1 Pd1 C6 C7 -30.1(3) . . . . ?
Cl1 Pd1 C6 C7 111.3(5) . . . . ?
N1 Pd1 C6 C10 -3.43(19) . . . . ?
P1 Pd1 C6 C10 161.18(18) . . . . ?
Cl1 Pd1 C6 C10 -57.4(5) . . . . ?
N1 Pd1 C6 Fe1 71.63(16) . . . . ?
P1 Pd1 C6 Fe1 -123.77(14) . . . . ?
Cl1 Pd1 C6 Fe1 17.6(5) . . . . ?
C3 Fe1 C6 C7 -38.8(7) . . . . ?
C10 Fe1 C6 C7 118.4(2) . . . . ?
C2 Fe1 C6 C7 -72.4(3) . . . . ?
C9 Fe1 C6 C7 80.5(2) . . . . ?
C4 Fe1 C6 C7 169.0(4) . . . . ?
C5 Fe1 C6 C7 -154.3(3) . . . . ?
C1 Fe1 C6 C7 -111.9(3) . . . . ?
C8 Fe1 C6 C7 36.98(19) . . . . ?
C3 Fe1 C6 C10 -157.2(7) . . . . ?
C2 Fe1 C6 C10 169.2(3) . . . . ?
C9 Fe1 C6 C10 -37.91(18) . . . . ?
C4 Fe1 C6 C10 50.6(5) . . . . ?
C5 Fe1 C6 C10 87.3(3) . . . . ?
C1 Fe1 C6 C10 129.7(3) . . . . ?
C8 Fe1 C6 C10 -81.44(19) . . . . ?
C7 Fe1 C6 C10 -118.4(2) . . . . ?
C3 Fe1 C6 Pd1 100.7(7) . . . . ?
C10 Fe1 C6 Pd1 -102.1(2) . . . . ?
C2 Fe1 C6 Pd1 67.1(3) . . . . ?
C9 Fe1 C6 Pd1 -140.0(2) . . . . ?
C4 Fe1 C6 Pd1 -51.5(5) . . . . ?
C5 Fe1 C6 Pd1 -14.8(3) . . . . ?
C1 Fe1 C6 Pd1 27.6(3) . . . . ?
C8 Fe1 C6 Pd1 176.5(2) . . . . ?
C7 Fe1 C6 Pd1 139.5(3) . . . . ?
C10 C6 C7 C8 -1.5(3) . . . . ?
Pd1 C6 C7 C8 -170.6(3) . . . . ?
Fe1 C6 C7 C8 -58.5(2) . . . . ?
C10 C6 C7 Fe1 57.02(19) . . . . ?
Pd1 C6 C7 Fe1 -112.1(3) . . . . ?
C3 Fe1 C7 C8 -70.2(3) . . . . ?
C10 Fe1 C7 C8 82.2(2) . . . . ?
C2 Fe1 C7 C8 -110.4(3) . . . . ?
C9 Fe1 C7 C8 37.27(19) . . . . ?
C4 Fe1 C7 C8 -40.0(7) . . . . ?
C5 Fe1 C7 C8 175.1(4) . . . . ?
C1 Fe1 C7 C8 -151.3(3) . . . . ?
C6 Fe1 C7 C8 120.7(3) . . . . ?
C3 Fe1 C7 C6 169.1(3) . . . . ?
C10 Fe1 C7 C6 -38.45(17) . . . . ?
C2 Fe1 C7 C6 128.9(3) . . . . ?
C9 Fe1 C7 C6 -83.39(19) . . . . ?
C4 Fe1 C7 C6 -160.7(7) . . . . ?
C5 Fe1 C7 C6 54.5(4) . . . . ?
C1 Fe1 C7 C6 88.0(3) . . . . ?
C8 Fe1 C7 C6 -120.7(3) . . . . ?
C6 C7 C8 C9 1.0(4) . . . . ?
Fe1 C7 C8 C9 -58.7(2) . . . . ?
C6 C7 C8 Fe1 59.7(2) . . . . ?
C3 Fe1 C8 C9 -110.9(3) . . . . ?
C10 Fe1 C8 C9 38.86(19) . . . . ?
C2 Fe1 C8 C9 -152.2(3) . . . . ?
C4 Fe1 C8 C9 -72.1(3) . . . . ?
C5 Fe1 C8 C9 -50.4(7) . . . . ?
C1 Fe1 C8 C9 178.9(3) . . . . ?
C7 Fe1 C8 C9 119.9(3) . . . . ?
C6 Fe1 C8 C9 83.1(2) . . . . ?
C3 Fe1 C8 C7 129.2(3) . . . . ?
C10 Fe1 C8 C7 -81.1(2) . . . . ?
C2 Fe1 C8 C7 87.9(3) . . . . ?
C9 Fe1 C8 C7 -119.9(3) . . . . ?
C4 Fe1 C8 C7 167.9(3) . . . . ?
C5 Fe1 C8 C7 -170.3(6) . . . . ?
C1 Fe1 C8 C7 59.0(4) . . . . ?
C6 Fe1 C8 C7 -36.87(18) . . . . ?
C7 C8 C9 C10 0.0(4) . . . . ?
Fe1 C8 C9 C10 -59.3(2) . . . . ?
C7 C8 C9 Fe1 59.3(2) . . . . ?
C3 Fe1 C9 C8 85.7(3) . . . . ?
C10 Fe1 C9 C8 -118.4(3) . . . . ?
C2 Fe1 C9 C8 54.9(4) . . . . ?
C4 Fe1 C9 C8 127.2(3) . . . . ?
C5 Fe1 C9 C8 166.4(3) . . . . ?
C1 Fe1 C9 C8 -177.4(8) . . . . ?
C7 Fe1 C9 C8 -37.39(18) . . . . ?
C6 Fe1 C9 C8 -81.0(2) . . . . ?
C3 Fe1 C9 C10 -155.9(3) . . . . ?
C2 Fe1 C9 C10 173.3(4) . . . . ?
C4 Fe1 C9 C10 -114.4(3) . . . . ?
C5 Fe1 C9 C10 -75.2(3) . . . . ?
C1 Fe1 C9 C10 -59.1(9) . . . . ?
C8 Fe1 C9 C10 118.4(3) . . . . ?
C7 Fe1 C9 C10 80.99(19) . . . . ?
C6 Fe1 C9 C10 37.42(18) . . . . ?
C8 C9 C10 C11 168.2(3) . . . . ?
Fe1 C9 C10 C11 108.2(3) . . . . ?
C8 C9 C10 C6 -1.0(3) . . . . ?
Fe1 C9 C10 C6 -61.0(2) . . . . ?
C8 C9 C10 Fe1 60.0(2) . . . . ?
C7 C6 C10 C9 1.5(3) . . . . ?
Pd1 C6 C10 C9 174.5(2) . . . . ?
Fe1 C6 C10 C9 59.4(2) . . . . ?
C7 C6 C10 C11 -169.5(3) . . . . ?
Pd1 C6 C10 C11 3.5(3) . . . . ?
Fe1 C6 C10 C11 -111.6(3) . . . . ?
C7 C6 C10 Fe1 -57.88(19) . . . . ?
Pd1 C6 C10 Fe1 115.05(15) . . . . ?
C3 Fe1 C10 C9 49.2(4) . . . . ?
C2 Fe1 C10 C9 -163.6(8) . . . . ?
C4 Fe1 C10 C9 83.6(3) . . . . ?
C5 Fe1 C10 C9 127.7(3) . . . . ?
C1 Fe1 C10 C9 166.7(3) . . . . ?
C8 Fe1 C10 C9 -37.9(2) . . . . ?
C7 Fe1 C10 C9 -81.8(2) . . . . ?
C6 Fe1 C10 C9 -119.9(3) . . . . ?
C3 Fe1 C10 C11 -78.7(4) . . . . ?
C2 Fe1 C10 C11 68.5(9) . . . . ?
C9 Fe1 C10 C11 -127.8(3) . . . . ?
C4 Fe1 C10 C11 -44.2(4) . . . . ?
C5 Fe1 C10 C11 -0.2(4) . . . . ?
C1 Fe1 C10 C11 38.8(4) . . . . ?
C8 Fe1 C10 C11 -165.7(3) . . . . ?
C7 Fe1 C10 C11 150.3(3) . . . . ?
C6 Fe1 C10 C11 112.3(3) . . . . ?
C3 Fe1 C10 C6 169.0(3) . . . . ?
C2 Fe1 C10 C6 -43.8(9) . . . . ?
C9 Fe1 C10 C6 119.9(3) . . . . ?
C4 Fe1 C10 C6 -156.5(3) . . . . ?
C5 Fe1 C10 C6 -112.5(3) . . . . ?
C1 Fe1 C10 C6 -73.5(3) . . . . ?
C8 Fe1 C10 C6 81.95(18) . . . . ?
C7 Fe1 C10 C6 38.03(16) . . . . ?
C12 N1 C11 C10 177.1(3) . . . . ?
Pd1 N1 C11 C10 -2.3(3) . . . . ?
C9 C10 C11 N1 -169.2(3) . . . . ?
C6 C10 C11 N1 -0.6(4) . . . . ?
Fe1 C10 C11 N1 -83.3(3) . . . . ?
C11 N1 C12 C13 -92.8(4) . . . . ?
Pd1 N1 C12 C13 86.5(3) . . . . ?
C11 N1 C12 C17 33.9(4) . . . . ?
Pd1 N1 C12 C17 -146.7(2) . . . . ?
N1 C12 C13 C14 -173.4(3) . . . . ?
C17 C12 C13 C14 57.2(4) . . . . ?
C12 C13 C14 C15 -55.0(5) . . . . ?
C13 C14 C15 C16 54.3(5) . . . . ?
C14 C15 C16 C17 -55.9(5) . . . . ?
N1 C12 C17 C16 175.8(3) . . . . ?
C13 C12 C17 C16 -58.0(4) . . . . ?
C15 C16 C17 C12 57.4(5) . . . . ?
C30 P1 C18 C19 175.0(2) . . . . ?
C24 P1 C18 C19 60.2(2) . . . . ?
Pd1 P1 C18 C19 -67.8(2) . . . . ?
C30 P1 C18 C23 -61.4(2) . . . . ?
C24 P1 C18 C23 -176.2(2) . . . . ?
Pd1 P1 C18 C23 55.8(2) . . . . ?
C23 C18 C19 C20 55.2(4) . . . . ?
P1 C18 C19 C20 179.3(2) . . . . ?
C18 C19 C20 C21 -56.1(4) . . . . ?
C19 C20 C21 C22 55.9(4) . . . . ?
C20 C21 C22 C23 -56.4(4) . . . . ?
C21 C22 C23 C18 57.6(4) . . . . ?
C19 C18 C23 C22 -56.5(4) . . . . ?
P1 C18 C23 C22 177.9(2) . . . . ?
C18 P1 C24 C29 -171.3(2) . . . . ?
C30 P1 C24 C29 77.5(2) . . . . ?
Pd1 P1 C24 C29 -42.9(2) . . . . ?
C18 P1 C24 C25 60.4(2) . . . . ?
C30 P1 C24 C25 -50.9(3) . . . . ?
Pd1 P1 C24 C25 -171.21(19) . . . . ?
C29 C24 C25 C26 57.4(3) . . . . ?
P1 C24 C25 C26 -172.6(2) . . . . ?
C24 C25 C26 C27 -57.0(4) . . . . ?
C25 C26 C27 C28 55.0(4) . . . . ?
C26 C27 C28 C29 -53.7(4) . . . . ?
C27 C28 C29 C24 54.7(4) . . . . ?
C25 C24 C29 C28 -56.0(3) . . . . ?
P1 C24 C29 C28 172.7(2) . . . . ?
C18 P1 C30 C35 -173.6(2) . . . . ?
C24 P1 C30 C35 -61.5(2) . . . . ?
Pd1 P1 C30 C35 63.4(2) . . . . ?
C18 P1 C30 C31 -41.0(3) . . . . ?
C24 P1 C30 C31 71.1(3) . . . . ?
Pd1 P1 C30 C31 -163.9(2) . . . . ?
C35 C30 C31 C32 -58.1(3) . . . . ?
P1 C30 C31 C32 168.7(2) . . . . ?
C30 C31 C32 C33 58.3(3) . . . . ?
C31 C32 C33 C34 -57.7(4) . . . . ?
C32 C33 C34 C35 56.0(4) . . . . ?
C33 C34 C35 C30 -56.2(4) . . . . ?
C31 C30 C35 C34 58.0(3) . . . . ?
P1 C30 C35 C34 -165.0(2) . . . . ?
