#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:12:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179780 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/76/7007681.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_7007681
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            'C39 H55 Cl3 Fe N O P Pd'
_chemical_formula_weight         853.41
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.00(3)
_cell_angle_beta                 90.52(3)
_cell_angle_gamma                94.15(3)
_cell_formula_units_Z            2
_cell_length_a                   9.927(2)
_cell_length_b                   12.477(3)
_cell_length_c                   16.594(3)
_cell_measurement_reflns_used    356
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      25.1
_cell_measurement_theta_min      2
_cell_volume                     1996.7(8)
_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_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.875
_diffrn_measured_fraction_theta_max 0.875
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0440
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            6145
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.26
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.085
_exptl_absorpt_correction_T_max  0.8287
_exptl_absorpt_correction_T_min  0.8123
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.419
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       PRISMATIC
_exptl_crystal_F_000             884
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.944
_refine_diff_density_min         -0.763
_refine_diff_density_rms         0.075
_refine_ls_extinction_coef       0.0022(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     425
_refine_ls_number_reflns         6145
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0614
_refine_ls_R_factor_gt           0.0447
_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)+(0.0780P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1181
_refine_ls_wR_factor_ref         0.1241
_reflns_number_gt                4786
_reflns_number_total             6145
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b608825b.txt
_cod_data_source_block           p-1_2d
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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        1996.7(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7007681
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Fe1 Fe 0.40645(6) 0.48179(5) 0.71087(4) 0.0462(2) Uani 1 1 d . . .
Pd1 Pd 0.74328(3) 0.59300(3) 0.71427(2) 0.04422(15) Uani 1 1 d . . .
P1 P 0.75448(12) 0.76799(9) 0.79242(7) 0.0416(3) Uani 1 1 d . . .
Cl1 Cl 0.95741(15) 0.55373(12) 0.76241(13) 0.1017(7) Uani 1 1 d . . .
Cl2 Cl 0.9472(4) 1.2232(2) 0.87538(19) 0.1964(16) Uani 1 1 d . . .
Cl3 Cl 0.8172(5) 1.4054(4) 0.9658(4) 0.277(3) Uani 1 1 d . . .
N1 N 0.7311(4) 0.4393(3) 0.6234(2) 0.0478(9) Uani 1 1 d . . .
O1 O 1.1308(4) 0.1382(3) 0.5546(2) 0.0672(10) Uani 1 1 d . . .
C1 C 0.4696(8) 0.4436(6) 0.8169(4) 0.094(3) Uani 1 1 d . . .
H1A H 0.5504 0.4763 0.8503 0.113 Uiso 1 1 calc R . .
C2 C 0.3387(13) 0.4830(6) 0.8255(5) 0.120(3) Uani 1 1 d . . .
H2A H 0.3115 0.5470 0.8663 0.144 Uiso 1 1 calc R . .
C3 C 0.2556(7) 0.4092(7) 0.7682(6) 0.100(3) Uani 1 1 d . . .
H3A H 0.1585 0.4139 0.7598 0.120 Uiso 1 1 calc R . .
C4 C 0.3309(8) 0.3304(6) 0.7245(5) 0.0853(19) Uani 1 1 d . . .
H4A H 0.2969 0.2689 0.6795 0.102 Uiso 1 1 calc R . .
C5 C 0.4622(6) 0.3506(5) 0.7540(4) 0.0788(18) Uani 1 1 d . . .
H5A H 0.5373 0.3057 0.7341 0.095 Uiso 1 1 calc R . .
C6 C 0.5514(4) 0.5901(3) 0.6756(3) 0.0404(10) Uani 1 1 d . . .
C7 C 0.4278(4) 0.6405(4) 0.6946(3) 0.0430(10) Uani 1 1 d . . .
H7A H 0.4177 0.7068 0.7382 0.052 Uiso 1 1 calc R . .
C8 C 0.3202(5) 0.5788(4) 0.6437(3) 0.0514(12) Uani 1 1 d . . .
H8A H 0.2255 0.5964 0.6453 0.062 Uiso 1 1 calc R . .
C9 C 0.3734(5) 0.4855(4) 0.5910(3) 0.0535(13) Uani 1 1 d . . .
H9A H 0.3232 0.4287 0.5489 0.064 Uiso 1 1 calc R . .
C10 C 0.5152(5) 0.4925(4) 0.6105(3) 0.0456(11) Uani 1 1 d . . .
C11 C 0.6143(5) 0.4128(4) 0.5871(3) 0.0459(11) Uani 1 1 d . . .
C12 C 0.5763(6) 0.3063(4) 0.5263(3) 0.0608(14) Uani 1 1 d . . .
H12A H 0.6531 0.2629 0.5173 0.091 Uiso 1 1 calc R . .
H12B H 0.5473 0.3212 0.4748 0.091 Uiso 1 1 calc R . .
H12C H 0.5041 0.2663 0.5478 0.091 Uiso 1 1 calc R . .
C13 C 0.8359(5) 0.3643(4) 0.6071(3) 0.0487(12) Uani 1 1 d . . .
C14 C 0.8541(5) 0.2927(4) 0.6585(3) 0.0562(13) Uani 1 1 d . . .
H14A H 0.7993 0.2951 0.7039 0.067 Uiso 1 1 calc R . .
C15 C 0.9516(5) 0.2180(4) 0.6436(3) 0.0573(13) Uani 1 1 d . . .
H15A H 0.9624 0.1707 0.6789 0.069 Uiso 1 1 calc R . .
C16 C 1.0336(5) 0.2135(4) 0.5757(3) 0.0550(13) Uani 1 1 d . . .
C17 C 1.0187(5) 0.2873(4) 0.5261(3) 0.0598(13) Uani 1 1 d . . .
H17A H 1.0758 0.2869 0.4819 0.072 Uiso 1 1 calc R . .
C18 C 0.9206(5) 0.3615(4) 0.5408(3) 0.0581(13) Uani 1 1 d . . .
H18A H 0.9111 0.4099 0.5063 0.070 Uiso 1 1 calc R . .
C19 C 1.1305(6) 0.0500(5) 0.5956(4) 0.0712(16) Uani 1 1 d . . .
H19A H 1.0414 0.0115 0.5908 0.085 Uiso 1 1 calc R . .
H19B H 1.1527 0.0787 0.6539 0.085 Uiso 1 1 calc R . .
C20 C 1.2303(7) -0.0267(5) 0.5583(4) 0.090(2) Uani 1 1 d . . .
H20A H 1.2305 -0.0862 0.5862 0.134 Uiso 1 1 calc R . .
H20B H 1.3184 0.0117 0.5634 0.134 Uiso 1 1 calc R . .
H20C H 1.2072 -0.0556 0.5008 0.134 Uiso 1 1 calc R . .
C21 C 0.6807(6) 0.7837(5) 0.8962(3) 0.0682(15) Uani 1 1 d . . .
H21A H 0.7189 0.8567 0.9257 0.082 Uiso 1 1 calc R . .
C22 C 0.5390(8) 0.7916(8) 0.9054(4) 0.121(3) Uani 1 1 d . . .
H22A H 0.4924 0.7231 0.8752 0.145 Uiso 1 1 calc R . .
H22B H 0.5121 0.8501 0.8803 0.145 Uiso 1 1 calc R . .
C23 C 0.4926(8) 0.8144(6) 0.9951(4) 0.099(2) Uani 1 1 d . . .
H23A H 0.5232 0.8893 1.0229 0.119 Uiso 1 1 calc R . .
H23B H 0.3947 0.8078 0.9956 0.119 Uiso 1 1 calc R . .
C24 C 0.5473(9) 0.7352(8) 1.0411(5) 0.120(3) Uani 1 1 d . . .
H24A H 0.5305 0.7609 1.0995 0.144 Uiso 1 1 calc R . .
H24B H 0.4978 0.6638 1.0223 0.144 Uiso 1 1 calc R . .
C25 C 0.6858(9) 0.7215(9) 1.0317(5) 0.130(3) Uani 1 1 d . . .
H25A H 0.7060 0.6578 1.0528 0.157 Uiso 1 1 calc R . .
H25B H 0.7353 0.7853 1.0665 0.157 Uiso 1 1 calc R . .
C26 C 0.7403(6) 0.7064(5) 0.9444(3) 0.0710(16) Uani 1 1 d . . .
H26A H 0.7192 0.6306 0.9146 0.085 Uiso 1 1 calc R . .
H26B H 0.8378 0.7202 0.9478 0.085 Uiso 1 1 calc R . .
C27 C 0.9334(5) 0.8205(4) 0.8138(3) 0.0512(12) Uani 1 1 d . . .
H27A H 0.9722 0.7612 0.8341 0.061 Uiso 1 1 calc R . .
C28 C 1.0123(5) 0.8235(5) 0.7374(3) 0.0625(14) Uani 1 1 d . . .
H28A H 0.9866 0.8846 0.7148 0.075 Uiso 1 1 calc R . .
H28B H 0.9903 0.7558 0.6961 0.075 Uiso 1 1 calc R . .
C29 C 1.1648(6) 0.8366(6) 0.7563(4) 0.090(2) Uani 1 1 d . . .
H29A H 1.1920 0.7703 0.7712 0.107 Uiso 1 1 calc R . .
H29B H 1.2119 0.8442 0.7067 0.107 Uiso 1 1 calc R . .
C30 C 1.2052(7) 0.9308(7) 0.8225(5) 0.112(3) Uani 1 1 d . . .
H30A H 1.1915 0.9979 0.8043 0.134 Uiso 1 1 calc R . .
H30B H 1.3007 0.9305 0.8351 0.134 Uiso 1 1 calc R . .
C31 C 1.1262(7) 0.9306(6) 0.9003(4) 0.106(3) Uani 1 1 d . . .
H31A H 1.1503 0.9984 0.9411 0.128 Uiso 1 1 calc R . .
H31B H 1.1500 0.8694 0.9233 0.128 Uiso 1 1 calc R . .
C32 C 0.9713(6) 0.9203(5) 0.8816(4) 0.094(2) Uani 1 1 d . . .
H32A H 0.9232 0.9142 0.9312 0.113 Uiso 1 1 calc R . .
H32B H 0.9455 0.9859 0.8651 0.113 Uiso 1 1 calc R . .
C33 C 0.6668(5) 0.8658(3) 0.7451(3) 0.0445(11) Uani 1 1 d . . .
H33A H 0.5702 0.8477 0.7509 0.053 Uiso 1 1 calc R . .
C34 C 0.6869(5) 0.8500(4) 0.6515(3) 0.0551(12) Uani 1 1 d . . .
H34A H 0.7793 0.8738 0.6415 0.066 Uiso 1 1 calc R . .
H34B H 0.6710 0.7725 0.6248 0.066 Uiso 1 1 calc R . .
C35 C 0.5900(6) 0.9167(4) 0.6151(3) 0.0666(15) Uani 1 1 d . . .
H35A H 0.4978 0.8888 0.6214 0.080 Uiso 1 1 calc R . .
H35B H 0.6057 0.9078 0.5565 0.080 Uiso 1 1 calc R . .
C36 C 0.6079(7) 1.0396(4) 0.6577(4) 0.0760(17) Uani 1 1 d . . .
H36A H 0.5403 1.0788 0.6360 0.091 Uiso 1 1 calc R . .
H36B H 0.6963 1.0699 0.6457 0.091 Uiso 1 1 calc R . .
C37 C 0.5938(7) 1.0568(4) 0.7523(4) 0.0764(17) Uani 1 1 d . . .
H37A H 0.6131 1.1343 0.7784 0.092 Uiso 1 1 calc R . .
H37B H 0.5019 1.0353 0.7647 0.092 Uiso 1 1 calc R . .
C38 C 0.6915(6) 0.9880(4) 0.7869(3) 0.0636(14) Uani 1 1 d . . .
H38A H 0.7837 1.0133 0.7781 0.076 Uiso 1 1 calc R . .
H38B H 0.6798 0.9979 0.8460 0.076 Uiso 1 1 calc R . .
C39 C 0.9415(10) 1.3624(7) 0.9037(6) 0.138(3) Uani 1 1 d . . .
H39A H 1.0267 1.3940 0.9311 0.166 Uiso 1 1 calc R . .
H39B H 0.9330 1.3905 0.8541 0.166 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'
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'
Pd Pd -0.9988 1.0072 '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
C10 Fe1 C2 166.7(4) . . ?
C10 Fe1 C9 41.54(19) . . ?
C2 Fe1 C9 151.0(4) . . ?
C10 Fe1 C1 128.1(3) . . ?
C2 Fe1 C1 41.0(3) . . ?
C9 Fe1 C1 164.4(3) . . ?
C10 Fe1 C5 108.8(2) . . ?
C2 Fe1 C5 67.5(3) . . ?
C9 Fe1 C5 126.5(3) . . ?
C1 Fe1 C5 39.4(3) . . ?
C10 Fe1 C4 119.3(3) . . ?
C2 Fe1 C4 66.6(3) . . ?
C9 Fe1 C4 106.8(2) . . ?
C1 Fe1 C4 66.2(3) . . ?
C5 Fe1 C4 39.4(2) . . ?
C10 Fe1 C8 68.76(19) . . ?
C2 Fe1 C8 118.5(3) . . ?
C9 Fe1 C8 41.06(19) . . ?
C1 Fe1 C8 154.3(3) . . ?
C5 Fe1 C8 163.7(2) . . ?
C4 Fe1 C8 126.6(2) . . ?
C10 Fe1 C3 151.8(3) . . ?
C2 Fe1 C3 39.8(3) . . ?
C9 Fe1 C3 117.3(3) . . ?
C1 Fe1 C3 66.8(3) . . ?
C5 Fe1 C3 66.0(3) . . ?
C4 Fe1 C3 38.8(3) . . ?
C8 Fe1 C3 108.0(2) . . ?
C10 Fe1 C7 68.12(18) . . ?
C2 Fe1 C7 109.4(2) . . ?
C9 Fe1 C7 68.87(18) . . ?
C1 Fe1 C7 121.6(2) . . ?
C5 Fe1 C7 154.9(2) . . ?
C4 Fe1 C7 164.4(3) . . ?
C8 Fe1 C7 40.56(17) . . ?
C3 Fe1 C7 128.6(3) . . ?
C10 Fe1 C6 41.55(17) . . ?
C2 Fe1 C6 128.2(3) . . ?
C9 Fe1 C6 70.35(18) . . ?
C1 Fe1 C6 109.4(2) . . ?
C5 Fe1 C6 120.6(2) . . ?
C4 Fe1 C6 154.0(3) . . ?
C8 Fe1 C6 69.05(18) . . ?
C3 Fe1 C6 165.6(3) . . ?
C7 Fe1 C6 40.32(17) . . ?
C6 Pd1 N1 80.81(16) . . ?
C6 Pd1 P1 95.99(13) . . ?
N1 Pd1 P1 170.75(11) . . ?
C6 Pd1 Cl1 166.73(13) . . ?
N1 Pd1 Cl1 90.26(11) . . ?
P1 Pd1 Cl1 94.29(6) . . ?
C27 P1 C21 104.3(2) . . ?
C27 P1 C33 108.8(2) . . ?
C21 P1 C33 104.0(2) . . ?
C27 P1 Pd1 109.69(16) . . ?
C21 P1 Pd1 115.3(2) . . ?
C33 P1 Pd1 114.09(14) . . ?
C11 N1 C13 120.2(4) . . ?
C11 N1 Pd1 114.1(3) . . ?
C13 N1 Pd1 125.5(3) . . ?
C16 O1 C19 117.9(4) . . ?
C5 C1 C2 107.7(6) . . ?
C5 C1 Fe1 70.6(3) . . ?
C2 C1 Fe1 69.2(4) . . ?
C5 C1 H1A 126.2 . . ?
C2 C1 H1A 126.2 . . ?
Fe1 C1 H1A 126.2 . . ?
C3 C2 C1 106.3(7) . . ?
C3 C2 Fe1 71.1(4) . . ?
C1 C2 Fe1 69.8(4) . . ?
C3 C2 H2A 126.8 . . ?
C1 C2 H2A 126.8 . . ?
Fe1 C2 H2A 126.8 . . ?
C4 C3 C2 108.9(7) . . ?
C4 C3 Fe1 70.4(4) . . ?
C2 C3 Fe1 69.1(4) . . ?
C4 C3 H3A 125.5 . . ?
C2 C3 H3A 125.5 . . ?
Fe1 C3 H3A 125.5 . . ?
C3 C4 C5 108.9(7) . . ?
C3 C4 Fe1 70.7(4) . . ?
C5 C4 Fe1 70.1(3) . . ?
C3 C4 H4A 125.5 . . ?
C5 C4 H4A 125.5 . . ?
Fe1 C4 H4A 125.5 . . ?
C1 C5 C4 108.2(6) . . ?
C1 C5 Fe1 70.0(4) . . ?
C4 C5 Fe1 70.6(3) . . ?
C1 C5 H5A 125.9 . . ?
C4 C5 H5A 125.9 . . ?
Fe1 C5 H5A 125.9 . . ?
C7 C6 C10 104.7(4) . . ?
C7 C6 Pd1 143.4(3) . . ?
C10 C6 Pd1 111.1(3) . . ?
C7 C6 Fe1 68.9(3) . . ?
C10 C6 Fe1 66.9(2) . . ?
Pd1 C6 Fe1 119.3(2) . . ?
C8 C7 C6 110.5(4) . . ?
C8 C7 Fe1 69.3(3) . . ?
C6 C7 Fe1 70.8(2) . . ?
C8 C7 H7A 124.7 . . ?
C6 C7 H7A 124.7 . . ?
Fe1 C7 H7A 124.7 . . ?
C7 C8 C9 108.2(4) . . ?
C7 C8 Fe1 70.1(3) . . ?
C9 C8 Fe1 68.7(3) . . ?
C7 C8 H8A 125.9 . . ?
C9 C8 H8A 125.9 . . ?
Fe1 C8 H8A 125.9 . . ?
C8 C9 C10 106.6(4) . . ?
C8 C9 Fe1 70.2(3) . . ?
C10 C9 Fe1 69.0(3) . . ?
C8 C9 H9A 126.7 . . ?
C10 C9 H9A 126.7 . . ?
Fe1 C9 H9A 126.7 . . ?
C9 C10 C11 130.7(4) . . ?
C9 C10 C6 110.0(4) . . ?
C11 C10 C6 118.4(4) . . ?
C9 C10 Fe1 69.5(3) . . ?
C11 C10 Fe1 116.6(3) . . ?
C6 C10 Fe1 71.6(3) . . ?
N1 C11 C10 115.5(4) . . ?
N1 C11 C12 124.6(4) . . ?
C10 C11 C12 119.9(4) . . ?
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 . . ?
C14 C13 C18 118.6(4) . . ?
C14 C13 N1 119.9(4) . . ?
C18 C13 N1 121.5(4) . . ?
C15 C14 C13 121.4(5) . . ?
C15 C14 H14A 119.3 . . ?
C13 C14 H14A 119.3 . . ?
C14 C15 C16 119.7(5) . . ?
C14 C15 H15A 120.2 . . ?
C16 C15 H15A 120.2 . . ?
C17 C16 O1 117.6(5) . . ?
C17 C16 C15 119.0(5) . . ?
O1 C16 C15 123.4(5) . . ?
C18 C17 C16 121.1(5) . . ?
C18 C17 H17A 119.4 . . ?
C16 C17 H17A 119.4 . . ?
C17 C18 C13 120.1(5) . . ?
C17 C18 H18A 119.9 . . ?
C13 C18 H18A 119.9 . . ?
O1 C19 C20 109.5(5) . . ?
O1 C19 H19A 109.8 . . ?
C20 C19 H19A 109.8 . . ?
O1 C19 H19B 109.8 . . ?
C20 C19 H19B 109.8 . . ?
H19A C19 H19B 108.2 . . ?
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 . . ?
C22 C21 C26 113.9(5) . . ?
C22 C21 P1 119.9(5) . . ?
C26 C21 P1 111.3(4) . . ?
C22 C21 H21A 103.0 . . ?
C26 C21 H21A 103.0 . . ?
P1 C21 H21A 103.0 . . ?
C21 C22 C23 114.7(6) . . ?
C21 C22 H22A 108.6 . . ?
C23 C22 H22A 108.6 . . ?
C21 C22 H22B 108.6 . . ?
C23 C22 H22B 108.6 . . ?
H22A C22 H22B 107.6 . . ?
C24 C23 C22 111.3(6) . . ?
C24 C23 H23A 109.4 . . ?
C22 C23 H23A 109.4 . . ?
C24 C23 H23B 109.4 . . ?
C22 C23 H23B 109.4 . . ?
H23A C23 H23B 108.0 . . ?
C25 C24 C23 114.9(7) . . ?
C25 C24 H24A 108.5 . . ?
C23 C24 H24A 108.5 . . ?
C25 C24 H24B 108.5 . . ?
C23 C24 H24B 108.5 . . ?
H24A C24 H24B 107.5 . . ?
C24 C25 C26 117.3(7) . . ?
C24 C25 H25A 108.0 . . ?
C26 C25 H25A 108.0 . . ?
C24 C25 H25B 108.0 . . ?
C26 C25 H25B 108.0 . . ?
H25A C25 H25B 107.2 . . ?
C25 C26 C21 112.4(5) . . ?
C25 C26 H26A 109.1 . . ?
C21 C26 H26A 109.1 . . ?
C25 C26 H26B 109.1 . . ?
C21 C26 H26B 109.1 . . ?
H26A C26 H26B 107.9 . . ?
C32 C27 C28 111.2(5) . . ?
C32 C27 P1 120.8(4) . . ?
C28 C27 P1 113.9(3) . . ?
C32 C27 H27A 102.7 . . ?
C28 C27 H27A 102.7 . . ?
P1 C27 H27A 102.7 . . ?
C27 C28 C29 111.4(5) . . ?
C27 C28 H28A 109.4 . . ?
C29 C28 H28A 109.4 . . ?
C27 C28 H28B 109.4 . . ?
C29 C28 H28B 109.4 . . ?
H28A C28 H28B 108.0 . . ?
C30 C29 C28 113.1(6) . . ?
C30 C29 H29A 109.0 . . ?
C28 C29 H29A 109.0 . . ?
C30 C29 H29B 109.0 . . ?
C28 C29 H29B 109.0 . . ?
H29A C29 H29B 107.8 . . ?
C29 C30 C31 112.2(6) . . ?
C29 C30 H30A 109.2 . . ?
C31 C30 H30A 109.2 . . ?
C29 C30 H30B 109.2 . . ?
C31 C30 H30B 109.2 . . ?
H30A C30 H30B 107.9 . . ?
C30 C31 C32 111.2(6) . . ?
C30 C31 H31A 109.4 . . ?
C32 C31 H31A 109.4 . . ?
C30 C31 H31B 109.4 . . ?
C32 C31 H31B 109.4 . . ?
H31A C31 H31B 108.0 . . ?
C27 C32 C31 110.3(5) . . ?
C27 C32 H32A 109.6 . . ?
C31 C32 H32A 109.6 . . ?
C27 C32 H32B 109.6 . . ?
C31 C32 H32B 109.6 . . ?
H32A C32 H32B 108.1 . . ?
C38 C33 C34 109.5(4) . . ?
C38 C33 P1 116.4(3) . . ?
C34 C33 P1 113.9(3) . . ?
C38 C33 H33A 105.3 . . ?
C34 C33 H33A 105.3 . . ?
P1 C33 H33A 105.3 . . ?
C35 C34 C33 110.2(4) . . ?
C35 C34 H34A 109.6 . . ?
C33 C34 H34A 109.6 . . ?
C35 C34 H34B 109.6 . . ?
C33 C34 H34B 109.6 . . ?
H34A C34 H34B 108.1 . . ?
C34 C35 C36 111.6(4) . . ?
C34 C35 H35A 109.3 . . ?
C36 C35 H35A 109.3 . . ?
C34 C35 H35B 109.3 . . ?
C36 C35 H35B 109.3 . . ?
H35A C35 H35B 108.0 . . ?
C35 C36 C37 111.0(4) . . ?
C35 C36 H36A 109.4 . . ?
C37 C36 H36A 109.4 . . ?
C35 C36 H36B 109.4 . . ?
C37 C36 H36B 109.4 . . ?
H36A C36 H36B 108.0 . . ?
C38 C37 C36 110.3(5) . . ?
C38 C37 H37A 109.6 . . ?
C36 C37 H37A 109.6 . . ?
C38 C37 H37B 109.6 . . ?
C36 C37 H37B 109.6 . . ?
H37A C37 H37B 108.1 . . ?
C33 C38 C37 110.9(4) . . ?
C33 C38 H38A 109.5 . . ?
C37 C38 H38A 109.5 . . ?
C33 C38 H38B 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 108.0 . . ?
Cl3 C39 Cl2 115.0(6) . . ?
Cl3 C39 H39A 108.5 . . ?
Cl2 C39 H39A 108.5 . . ?
Cl3 C39 H39B 108.5 . . ?
Cl2 C39 H39B 108.5 . . ?
H39A C39 H39B 107.5 . . ?
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
Fe1 C10 2.017(5) . ?
Fe1 C2 2.020(7) . ?
Fe1 C9 2.024(5) . ?
Fe1 C1 2.028(6) . ?
Fe1 C5 2.036(6) . ?
Fe1 C4 2.042(6) . ?
Fe1 C8 2.045(5) . ?
Fe1 C3 2.046(6) . ?
Fe1 C7 2.055(4) . ?
Fe1 C6 2.080(4) . ?
Pd1 C6 1.999(4) . ?
Pd1 N1 2.151(4) . ?
Pd1 P1 2.2692(14) . ?
Pd1 Cl1 2.3859(15) . ?
P1 C27 1.851(5) . ?
P1 C21 1.853(5) . ?
P1 C33 1.854(5) . ?
Cl2 C39 1.700(9) . ?
Cl3 C39 1.656(10) . ?
N1 C11 1.288(6) . ?
N1 C13 1.437(6) . ?
O1 C16 1.387(6) . ?
O1 C19 1.418(7) . ?
C1 C5 1.371(9) . ?
C1 C2 1.419(11) . ?
C1 H1A 0.9800 . ?
C2 C3 1.383(11) . ?
C2 H2A 0.9800 . ?
C3 C4 1.359(9) . ?
C3 H3A 0.9800 . ?
C4 C5 1.374(8) . ?
C4 H4A 0.9800 . ?
C5 H5A 0.9800 . ?
C6 C7 1.425(6) . ?
C6 C10 1.455(6) . ?
C7 C8 1.421(6) . ?
C7 H7A 0.9800 . ?
C8 C9 1.427(7) . ?
C8 H8A 0.9800 . ?
C9 C10 1.433(6) . ?
C9 H9A 0.9800 . ?
C10 C11 1.443(6) . ?
C11 C12 1.498(6) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.385(7) . ?
C13 C18 1.386(7) . ?
C14 C15 1.378(7) . ?
C14 H14A 0.9300 . ?
C15 C16 1.390(7) . ?
C15 H15A 0.9300 . ?
C16 C17 1.381(7) . ?
C17 C18 1.378(7) . ?
C17 H17A 0.9300 . ?
C18 H18A 0.9300 . ?
C19 C20 1.470(7) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C22 1.424(9) . ?
C21 C26 1.529(7) . ?
C21 H21A 0.9800 . ?
C22 C23 1.533(8) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.505(10) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 C25 1.403(11) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 C26 1.528(8) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C32 1.501(7) . ?
C27 C28 1.503(7) . ?
C27 H27A 0.9800 . ?
C28 C29 1.533(7) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 C30 1.446(9) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 C31 1.517(10) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C31 C32 1.556(8) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C38 1.528(6) . ?
C33 C34 1.537(6) . ?
C33 H33A 0.9800 . ?
C34 C35 1.521(7) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 C36 1.534(7) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 C37 1.545(8) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 C38 1.529(7) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 H39A 0.9700 . ?
C39 H39B 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 C27 -162.0(2) . . . . ?
N1 Pd1 P1 C27 -92.8(7) . . . . ?
Cl1 Pd1 P1 C27 26.41(18) . . . . ?
C6 Pd1 P1 C21 80.6(2) . . . . ?
N1 Pd1 P1 C21 149.8(7) . . . . ?
Cl1 Pd1 P1 C21 -90.9(2) . . . . ?
C6 Pd1 P1 C33 -39.6(2) . . . . ?
N1 Pd1 P1 C33 29.6(7) . . . . ?
Cl1 Pd1 P1 C33 148.79(18) . . . . ?
C6 Pd1 N1 C11 -0.9(3) . . . . ?
P1 Pd1 N1 C11 -71.3(8) . . . . ?
Cl1 Pd1 N1 C11 169.2(3) . . . . ?
C6 Pd1 N1 C13 -175.4(4) . . . . ?
P1 Pd1 N1 C13 114.3(6) . . . . ?
Cl1 Pd1 N1 C13 -5.3(4) . . . . ?
C10 Fe1 C1 C5 -72.0(4) . . . . ?
C2 Fe1 C1 C5 118.6(6) . . . . ?
C9 Fe1 C1 C5 -28.7(11) . . . . ?
C4 Fe1 C1 C5 37.4(4) . . . . ?
C8 Fe1 C1 C5 163.3(5) . . . . ?
C3 Fe1 C1 C5 79.9(4) . . . . ?
C7 Fe1 C1 C5 -157.8(3) . . . . ?
C6 Fe1 C1 C5 -114.9(4) . . . . ?
C10 Fe1 C1 C2 169.4(4) . . . . ?
C9 Fe1 C1 C2 -147.3(9) . . . . ?
C5 Fe1 C1 C2 -118.6(6) . . . . ?
C4 Fe1 C1 C2 -81.2(5) . . . . ?
C8 Fe1 C1 C2 44.7(8) . . . . ?
C3 Fe1 C1 C2 -38.6(4) . . . . ?
C7 Fe1 C1 C2 83.6(5) . . . . ?
C6 Fe1 C1 C2 126.5(5) . . . . ?
C5 C1 C2 C3 1.8(7) . . . . ?
Fe1 C1 C2 C3 62.2(5) . . . . ?
C5 C1 C2 Fe1 -60.4(4) . . . . ?
C10 Fe1 C2 C3 -155.4(9) . . . . ?
C9 Fe1 C2 C3 46.3(8) . . . . ?
C1 Fe1 C2 C3 -116.2(6) . . . . ?
C5 Fe1 C2 C3 -79.1(5) . . . . ?
C4 Fe1 C2 C3 -36.2(4) . . . . ?
C8 Fe1 C2 C3 84.1(5) . . . . ?
C7 Fe1 C2 C3 127.6(5) . . . . ?
C6 Fe1 C2 C3 168.9(4) . . . . ?
C10 Fe1 C2 C1 -39.2(13) . . . . ?
C9 Fe1 C2 C1 162.5(5) . . . . ?
C5 Fe1 C2 C1 37.1(4) . . . . ?
C4 Fe1 C2 C1 80.0(4) . . . . ?
C8 Fe1 C2 C1 -159.7(4) . . . . ?
C3 Fe1 C2 C1 116.2(6) . . . . ?
C7 Fe1 C2 C1 -116.2(4) . . . . ?
C6 Fe1 C2 C1 -74.9(5) . . . . ?
C1 C2 C3 C4 -1.9(8) . . . . ?
Fe1 C2 C3 C4 59.4(5) . . . . ?
C1 C2 C3 Fe1 -61.3(5) . . . . ?
C10 Fe1 C3 C4 48.1(7) . . . . ?
C2 Fe1 C3 C4 -120.2(7) . . . . ?
C9 Fe1 C3 C4 83.0(5) . . . . ?
C1 Fe1 C3 C4 -80.4(5) . . . . ?
C5 Fe1 C3 C4 -37.2(4) . . . . ?
C8 Fe1 C3 C4 126.6(4) . . . . ?
C7 Fe1 C3 C4 166.8(4) . . . . ?
C6 Fe1 C3 C4 -157.7(8) . . . . ?
C10 Fe1 C3 C2 168.3(5) . . . . ?
C9 Fe1 C3 C2 -156.8(5) . . . . ?
C1 Fe1 C3 C2 39.9(5) . . . . ?
C5 Fe1 C3 C2 83.1(5) . . . . ?
C4 Fe1 C3 C2 120.2(7) . . . . ?
C8 Fe1 C3 C2 -113.2(5) . . . . ?
C7 Fe1 C3 C2 -72.9(6) . . . . ?
C6 Fe1 C3 C2 -37.5(12) . . . . ?
C2 C3 C4 C5 1.3(8) . . . . ?
Fe1 C3 C4 C5 59.9(4) . . . . ?
C2 C3 C4 Fe1 -58.6(5) . . . . ?
C10 Fe1 C4 C3 -156.2(4) . . . . ?
C2 Fe1 C4 C3 37.0(5) . . . . ?
C9 Fe1 C4 C3 -112.9(5) . . . . ?
C1 Fe1 C4 C3 82.0(5) . . . . ?
C5 Fe1 C4 C3 119.5(6) . . . . ?
C8 Fe1 C4 C3 -72.0(5) . . . . ?
C7 Fe1 C4 C3 -41.4(11) . . . . ?
C6 Fe1 C4 C3 167.6(5) . . . . ?
C10 Fe1 C4 C5 84.3(5) . . . . ?
C2 Fe1 C4 C5 -82.5(5) . . . . ?
C9 Fe1 C4 C5 127.6(4) . . . . ?
C1 Fe1 C4 C5 -37.5(4) . . . . ?
C8 Fe1 C4 C5 168.4(4) . . . . ?
C3 Fe1 C4 C5 -119.5(6) . . . . ?
C7 Fe1 C4 C5 -161.0(8) . . . . ?
C6 Fe1 C4 C5 48.1(7) . . . . ?
C2 C1 C5 C4 -1.0(7) . . . . ?
Fe1 C1 C5 C4 -60.5(4) . . . . ?
C2 C1 C5 Fe1 59.5(4) . . . . ?
C3 C4 C5 C1 -0.2(7) . . . . ?
Fe1 C4 C5 C1 60.1(4) . . . . ?
C3 C4 C5 Fe1 -60.3(5) . . . . ?
C10 Fe1 C5 C1 127.8(4) . . . . ?
C2 Fe1 C5 C1 -38.6(5) . . . . ?
C9 Fe1 C5 C1 170.8(4) . . . . ?
C4 Fe1 C5 C1 -118.7(6) . . . . ?
C8 Fe1 C5 C1 -153.7(8) . . . . ?
C3 Fe1 C5 C1 -82.1(5) . . . . ?
C7 Fe1 C5 C1 49.3(7) . . . . ?
C6 Fe1 C5 C1 83.6(5) . . . . ?
C10 Fe1 C5 C4 -113.5(4) . . . . ?
C2 Fe1 C5 C4 80.1(5) . . . . ?
C9 Fe1 C5 C4 -70.5(5) . . . . ?
C1 Fe1 C5 C4 118.7(6) . . . . ?
C8 Fe1 C5 C4 -34.9(10) . . . . ?
C3 Fe1 C5 C4 36.7(4) . . . . ?
C7 Fe1 C5 C4 168.1(5) . . . . ?
C6 Fe1 C5 C4 -157.7(4) . . . . ?
N1 Pd1 C6 C7 167.1(6) . . . . ?
P1 Pd1 C6 C7 -21.7(6) . . . . ?
Cl1 Pd1 C6 C7 118.9(6) . . . . ?
N1 Pd1 C6 C10 -1.1(3) . . . . ?
P1 Pd1 C6 C10 170.1(3) . . . . ?
Cl1 Pd1 C6 C10 -49.4(7) . . . . ?
N1 Pd1 C6 Fe1 73.5(2) . . . . ?
P1 Pd1 C6 Fe1 -115.3(2) . . . . ?
Cl1 Pd1 C6 Fe1 25.2(7) . . . . ?
C10 Fe1 C6 C7 117.5(3) . . . . ?
C2 Fe1 C6 C7 -74.2(5) . . . . ?
C9 Fe1 C6 C7 80.2(3) . . . . ?
C1 Fe1 C6 C7 -116.4(4) . . . . ?
C5 Fe1 C6 C7 -158.4(3) . . . . ?
C4 Fe1 C6 C7 168.4(5) . . . . ?
C8 Fe1 C6 C7 36.3(3) . . . . ?
C3 Fe1 C6 C7 -44.5(10) . . . . ?
C2 Fe1 C6 C10 168.4(4) . . . . ?
C9 Fe1 C6 C10 -37.3(3) . . . . ?
C1 Fe1 C6 C10 126.1(4) . . . . ?
C5 Fe1 C6 C10 84.1(3) . . . . ?
C4 Fe1 C6 C10 50.9(6) . . . . ?
C8 Fe1 C6 C10 -81.2(3) . . . . ?
C3 Fe1 C6 C10 -161.9(9) . . . . ?
C7 Fe1 C6 C10 -117.5(3) . . . . ?
C10 Fe1 C6 Pd1 -102.1(3) . . . . ?
C2 Fe1 C6 Pd1 66.2(5) . . . . ?
C9 Fe1 C6 Pd1 -139.4(3) . . . . ?
C1 Fe1 C6 Pd1 24.0(4) . . . . ?
C5 Fe1 C6 Pd1 -18.0(4) . . . . ?
C4 Fe1 C6 Pd1 -51.2(6) . . . . ?
C8 Fe1 C6 Pd1 176.7(3) . . . . ?
C3 Fe1 C6 Pd1 95.9(10) . . . . ?
C7 Fe1 C6 Pd1 140.4(4) . . . . ?
C10 C6 C7 C8 -0.5(5) . . . . ?
Pd1 C6 C7 C8 -169.2(4) . . . . ?
Fe1 C6 C7 C8 -58.1(3) . . . . ?
C10 C6 C7 Fe1 57.5(3) . . . . ?
Pd1 C6 C7 Fe1 -111.1(5) . . . . ?
C10 Fe1 C7 C8 82.5(3) . . . . ?
C2 Fe1 C7 C8 -111.5(5) . . . . ?
C9 Fe1 C7 C8 37.7(3) . . . . ?
C1 Fe1 C7 C8 -155.3(4) . . . . ?
C5 Fe1 C7 C8 170.3(5) . . . . ?
C4 Fe1 C7 C8 -39.0(10) . . . . ?
C3 Fe1 C7 C8 -71.0(4) . . . . ?
C6 Fe1 C7 C8 121.8(4) . . . . ?
C10 Fe1 C7 C6 -39.4(2) . . . . ?
C2 Fe1 C7 C6 126.7(4) . . . . ?
C9 Fe1 C7 C6 -84.2(3) . . . . ?
C1 Fe1 C7 C6 82.9(4) . . . . ?
C5 Fe1 C7 C6 48.5(6) . . . . ?
C4 Fe1 C7 C6 -160.8(9) . . . . ?
C8 Fe1 C7 C6 -121.8(4) . . . . ?
C3 Fe1 C7 C6 167.1(4) . . . . ?
C6 C7 C8 C9 0.6(5) . . . . ?
Fe1 C7 C8 C9 -58.3(3) . . . . ?
C6 C7 C8 Fe1 58.9(3) . . . . ?
C10 Fe1 C8 C7 -80.8(3) . . . . ?
C2 Fe1 C8 C7 87.0(5) . . . . ?
C9 Fe1 C8 C7 -119.8(4) . . . . ?
C1 Fe1 C8 C7 55.3(7) . . . . ?
C5 Fe1 C8 C7 -165.3(8) . . . . ?
C4 Fe1 C8 C7 167.9(4) . . . . ?
C3 Fe1 C8 C7 129.0(4) . . . . ?
C6 Fe1 C8 C7 -36.1(3) . . . . ?
C10 Fe1 C8 C9 39.1(3) . . . . ?
C2 Fe1 C8 C9 -153.2(4) . . . . ?
C1 Fe1 C8 C9 175.1(5) . . . . ?
C5 Fe1 C8 C9 -45.4(9) . . . . ?
C4 Fe1 C8 C9 -72.3(4) . . . . ?
C3 Fe1 C8 C9 -111.2(4) . . . . ?
C7 Fe1 C8 C9 119.8(4) . . . . ?
C6 Fe1 C8 C9 83.8(3) . . . . ?
C7 C8 C9 C10 -0.5(5) . . . . ?
Fe1 C8 C9 C10 -59.6(3) . . . . ?
C7 C8 C9 Fe1 59.2(3) . . . . ?
C10 Fe1 C9 C8 -117.6(4) . . . . ?
C2 Fe1 C9 C8 55.0(6) . . . . ?
C1 Fe1 C9 C8 -172.1(8) . . . . ?
C5 Fe1 C9 C8 165.6(3) . . . . ?
C4 Fe1 C9 C8 126.9(4) . . . . ?
C3 Fe1 C9 C8 86.4(4) . . . . ?
C7 Fe1 C9 C8 -37.2(3) . . . . ?
C6 Fe1 C9 C8 -80.3(3) . . . . ?
C2 Fe1 C9 C10 172.7(5) . . . . ?
C1 Fe1 C9 C10 -54.5(9) . . . . ?
C5 Fe1 C9 C10 -76.8(4) . . . . ?
C4 Fe1 C9 C10 -115.4(3) . . . . ?
C8 Fe1 C9 C10 117.6(4) . . . . ?
C3 Fe1 C9 C10 -156.0(4) . . . . ?
C7 Fe1 C9 C10 80.4(3) . . . . ?
C6 Fe1 C9 C10 37.3(3) . . . . ?
C8 C9 C10 C11 168.4(5) . . . . ?
Fe1 C9 C10 C11 108.0(5) . . . . ?
C8 C9 C10 C6 0.1(5) . . . . ?
Fe1 C9 C10 C6 -60.3(3) . . . . ?
C8 C9 C10 Fe1 60.5(3) . . . . ?
C7 C6 C10 C9 0.2(5) . . . . ?
Pd1 C6 C10 C9 173.0(3) . . . . ?
Fe1 C6 C10 C9 59.1(3) . . . . ?
C7 C6 C10 C11 -169.7(4) . . . . ?
Pd1 C6 C10 C11 3.1(5) . . . . ?
Fe1 C6 C10 C11 -110.9(4) . . . . ?
C7 C6 C10 Fe1 -58.8(3) . . . . ?
Pd1 C6 C10 Fe1 113.9(2) . . . . ?
C2 Fe1 C10 C9 -164.3(10) . . . . ?
C1 Fe1 C10 C9 163.8(3) . . . . ?
C5 Fe1 C10 C9 124.2(3) . . . . ?
C4 Fe1 C10 C9 82.4(4) . . . . ?
C8 Fe1 C10 C9 -38.6(3) . . . . ?
C3 Fe1 C10 C9 50.0(6) . . . . ?
C7 Fe1 C10 C9 -82.4(3) . . . . ?
C6 Fe1 C10 C9 -120.6(4) . . . . ?
C2 Fe1 C10 C11 69.4(12) . . . . ?
C9 Fe1 C10 C11 -126.3(5) . . . . ?
C1 Fe1 C10 C11 37.6(5) . . . . ?
C5 Fe1 C10 C11 -2.1(4) . . . . ?
C4 Fe1 C10 C11 -43.9(4) . . . . ?
C8 Fe1 C10 C11 -164.9(4) . . . . ?
C3 Fe1 C10 C11 -76.2(6) . . . . ?
C7 Fe1 C10 C11 151.4(4) . . . . ?
C6 Fe1 C10 C11 113.1(4) . . . . ?
C2 Fe1 C10 C6 -43.7(12) . . . . ?
C9 Fe1 C10 C6 120.6(4) . . . . ?
C1 Fe1 C10 C6 -75.6(4) . . . . ?
C5 Fe1 C10 C6 -115.2(3) . . . . ?
C4 Fe1 C10 C6 -157.0(3) . . . . ?
C8 Fe1 C10 C6 82.0(3) . . . . ?
C3 Fe1 C10 C6 170.6(5) . . . . ?
C7 Fe1 C10 C6 38.2(2) . . . . ?
C13 N1 C11 C10 177.6(4) . . . . ?
Pd1 N1 C11 C10 2.8(5) . . . . ?
C13 N1 C11 C12 -0.3(7) . . . . ?
Pd1 N1 C11 C12 -175.1(4) . . . . ?
C9 C10 C11 N1 -171.5(5) . . . . ?
C6 C10 C11 N1 -4.0(6) . . . . ?
Fe1 C10 C11 N1 -86.5(5) . . . . ?
C9 C10 C11 C12 6.5(8) . . . . ?
C6 C10 C11 C12 174.0(4) . . . . ?
Fe1 C10 C11 C12 91.6(5) . . . . ?
C11 N1 C13 C14 -94.2(6) . . . . ?
Pd1 N1 C13 C14 79.9(5) . . . . ?
C11 N1 C13 C18 85.9(6) . . . . ?
Pd1 N1 C13 C18 -100.0(5) . . . . ?
C18 C13 C14 C15 -1.6(7) . . . . ?
N1 C13 C14 C15 178.5(4) . . . . ?
C13 C14 C15 C16 -0.2(8) . . . . ?
C19 O1 C16 C17 -168.8(5) . . . . ?
C19 O1 C16 C15 11.1(7) . . . . ?
C14 C15 C16 C17 2.3(8) . . . . ?
C14 C15 C16 O1 -177.6(4) . . . . ?
O1 C16 C17 C18 177.2(4) . . . . ?
C15 C16 C17 C18 -2.7(8) . . . . ?
C16 C17 C18 C13 0.9(8) . . . . ?
C14 C13 C18 C17 1.2(7) . . . . ?
N1 C13 C18 C17 -178.9(4) . . . . ?
C16 O1 C19 C20 173.8(5) . . . . ?
C27 P1 C21 C22 156.4(6) . . . . ?
C33 P1 C21 C22 42.4(7) . . . . ?
Pd1 P1 C21 C22 -83.3(6) . . . . ?
C27 P1 C21 C26 -67.0(5) . . . . ?
C33 P1 C21 C26 179.0(4) . . . . ?
Pd1 P1 C21 C26 53.3(5) . . . . ?
C26 C21 C22 C23 49.6(10) . . . . ?
P1 C21 C22 C23 -174.9(5) . . . . ?
C21 C22 C23 C24 -50.7(11) . . . . ?
C22 C23 C24 C25 47.5(12) . . . . ?
C23 C24 C25 C26 -45.0(12) . . . . ?
C24 C25 C26 C21 41.6(11) . . . . ?
C22 C21 C26 C25 -43.3(9) . . . . ?
P1 C21 C26 C25 177.4(5) . . . . ?
C21 P1 C27 C32 -39.4(5) . . . . ?
C33 P1 C27 C32 71.1(5) . . . . ?
Pd1 P1 C27 C32 -163.5(5) . . . . ?
C21 P1 C27 C28 -175.8(4) . . . . ?
C33 P1 C27 C28 -65.3(4) . . . . ?
Pd1 P1 C27 C28 60.2(4) . . . . ?
C32 C27 C28 C29 55.1(7) . . . . ?
P1 C27 C28 C29 -164.4(4) . . . . ?
C27 C28 C29 C30 -54.1(8) . . . . ?
C28 C29 C30 C31 53.4(9) . . . . ?
C29 C30 C31 C32 -53.7(9) . . . . ?
C28 C27 C32 C31 -55.9(7) . . . . ?
P1 C27 C32 C31 166.8(5) . . . . ?
C30 C31 C32 C27 54.6(9) . . . . ?
C27 P1 C33 C38 -46.7(4) . . . . ?
C21 P1 C33 C38 64.1(4) . . . . ?
Pd1 P1 C33 C38 -169.5(3) . . . . ?
C27 P1 C33 C34 82.2(4) . . . . ?
C21 P1 C33 C34 -167.1(4) . . . . ?
Pd1 P1 C33 C34 -40.6(4) . . . . ?
C38 C33 C34 C35 -59.1(5) . . . . ?
P1 C33 C34 C35 168.5(3) . . . . ?
C33 C34 C35 C36 57.3(6) . . . . ?
C34 C35 C36 C37 -54.9(7) . . . . ?
C35 C36 C37 C38 54.4(7) . . . . ?
C34 C33 C38 C37 59.7(6) . . . . ?
P1 C33 C38 C37 -169.2(4) . . . . ?
C36 C37 C38 C33 -57.4(6) . . . . ?
