#------------------------------------------------------------------------------
#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/26/8102690.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_8102690
loop_
_publ_author_name
'Hong Li'
'Hong-Mei Li'
'Jun-Ling Si'
'Duo-Bin Mao'
'Yu-Qing Zhang'
_publ_section_title
;
 Crystal structure of (acetylferrocene
 oxime-k2C6,N)-chloro-(2-dicyclohexylphosphanyl-2'-(N,N-dimethylamino)biphenyl-kP)palladium(II),
 PdCl[(C7H7NO)Fe(C5H5)][P(C6H11)2(C14H14N)]
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              333
_journal_volume                  225
_journal_year                    2010
_chemical_formula_sum            'C38 H48 Cl Fe N2 O P Pd'
_chemical_formula_weight         777.45
_chemical_name_systematic
; 
(acetylferrocene oxime-k²C⁶,
N)chloro(2-dicyclohexylphosphanyl-2^'^-(N,N-dimethylamino)
biphenyl-kP)palladium(II), C₃₈H₄₈ClFeN₂OPPd 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 115.89(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.378(4)
_cell_length_b                   11.744(2)
_cell_length_c                   18.808(4)
_cell_measurement_reflns_used    399
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      25.1
_cell_measurement_theta_min      2
_cell_volume                     3651.9(16)
_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 0.970
_diffrn_measured_fraction_theta_max 0.970
_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  0.0504
_diffrn_reflns_av_sigmaI/netI    0.0489
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            12151
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.23
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.038
_exptl_absorpt_correction_T_max  0.8433
_exptl_absorpt_correction_T_min  0.8193
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.414
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1608
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.728
_refine_diff_density_min         -0.697
_refine_diff_density_rms         0.092
_refine_ls_extinction_coef       0.0073(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     411
_refine_ls_number_reflns         6970
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          0.0559
_refine_ls_R_factor_gt           0.0472
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0538P)²+3.8542P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1133
_refine_ls_wR_factor_ref         0.1192
_reflns_number_gt                6176
_reflns_number_total             6970
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-2955.cff
_cod_data_source_block           p21c
_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 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        3652.1(13)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               8102690
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.299723(16) 0.39309(2) 0.847251(16) 0.03572(12) Uani 1 1 d . . .
Fe1 Fe 0.20090(3) 0.42076(5) 0.97538(4) 0.04764(17) Uani 1 1 d . . .
Cl1 Cl 0.29656(8) 0.28580(10) 0.73692(7) 0.0642(3) Uani 1 1 d . . .
P1 P 0.30609(5) 0.56781(8) 0.79994(5) 0.0326(2) Uani 1 1 d . . .
O1 O 0.3208(2) 0.1326(3) 0.8832(2) 0.0666(10) Uani 1 1 d . . .
N1 N 0.3145(2) 0.2397(3) 0.9110(2) 0.0472(8) Uani 1 1 d . . .
N2 N 0.1857(2) 0.8075(3) 0.8877(2) 0.0508(8) Uani 1 1 d . . .
C1 C 0.0843(3) 0.4627(6) 0.8986(4) 0.0814(17) Uani 1 1 d . . .
H1A H 0.0674 0.5310 0.8654 0.098 Uiso 1 1 calc R . .
C2 C 0.0919(3) 0.4526(7) 0.9770(4) 0.0863(18) Uani 1 1 d . . .
H2A H 0.0813 0.5133 1.0071 0.104 Uiso 1 1 calc R . .
C3 C 0.1174(3) 0.3415(7) 1.0045(4) 0.089(2) Uani 1 1 d . . .
H3A H 0.1271 0.3105 1.0563 0.107 Uiso 1 1 calc R . .
C4 C 0.1262(3) 0.2831(6) 0.9428(5) 0.090(2) Uani 1 1 d . . .
H4A H 0.1435 0.2037 0.9449 0.108 Uiso 1 1 calc R . .
C5 C 0.1060(3) 0.3579(6) 0.8775(4) 0.0822(17) Uani 1 1 d . . .
H5A H 0.1062 0.3393 0.8267 0.099 Uiso 1 1 calc R . .
C6 C 0.2954(2) 0.4503(3) 0.9450(2) 0.0382(8) Uani 1 1 d . . .
C7 C 0.2781(2) 0.5505(3) 0.9775(2) 0.0415(8) Uani 1 1 d . . .
H7A H 0.2616 0.6240 0.9506 0.050 Uiso 1 1 calc R . .
C8 C 0.2872(3) 0.5251(4) 1.0551(2) 0.0506(10) Uani 1 1 d . . .
H8A H 0.2786 0.5788 1.0906 0.061 Uiso 1 1 calc R . .
C9 C 0.3096(3) 0.4094(4) 1.0722(2) 0.0503(10) Uani 1 1 d . . .
H9A H 0.3205 0.3695 1.1216 0.060 Uiso 1 1 calc R . .
C10 C 0.3137(2) 0.3619(3) 1.0039(2) 0.0425(8) Uani 1 1 d . . .
C11 C 0.3232(2) 0.2462(3) 0.9823(2) 0.0473(9) Uani 1 1 d . . .
C12 C 0.3411(4) 0.1480(4) 1.0376(3) 0.0763(15) Uani 1 1 d . . .
H12A H 0.3452 0.0796 1.0116 0.114 Uiso 1 1 calc R . .
H12B H 0.2984 0.1400 1.0536 0.114 Uiso 1 1 calc R . .
H12C H 0.3913 0.1612 1.0834 0.114 Uiso 1 1 calc R . .
C13 C 0.3738(2) 0.5627(3) 0.7505(2) 0.0392(8) Uani 1 1 d . . .
H13A H 0.3471 0.5127 0.7046 0.047 Uiso 1 1 calc R . .
C14 C 0.4571(2) 0.5091(4) 0.7999(2) 0.0506(10) Uani 1 1 d . . .
H14A H 0.4879 0.5576 0.8449 0.061 Uiso 1 1 calc R . .
H14B H 0.4503 0.4357 0.8198 0.061 Uiso 1 1 calc R . .
C15 C 0.5031(3) 0.4940(5) 0.7502(3) 0.0646(13) Uani 1 1 d . . .
H15A H 0.5563 0.4629 0.7830 0.078 Uiso 1 1 calc R . .
H15B H 0.4746 0.4400 0.7082 0.078 Uiso 1 1 calc R . .
C16 C 0.5124(3) 0.6055(5) 0.7147(3) 0.0757(17) Uani 1 1 d . . .
H16A H 0.5381 0.5915 0.6801 0.091 Uiso 1 1 calc R . .
H16B H 0.5470 0.6561 0.7566 0.091 Uiso 1 1 calc R . .
C17 C 0.4301(3) 0.6628(5) 0.6675(3) 0.0654(13) Uani 1 1 d . . .
H17A H 0.4384 0.7366 0.6490 0.079 Uiso 1 1 calc R . .
H17B H 0.3981 0.6167 0.6216 0.079 Uiso 1 1 calc R . .
C18 C 0.3843(3) 0.6781(4) 0.7171(3) 0.0523(10) Uani 1 1 d . . .
H18A H 0.3316 0.7109 0.6850 0.063 Uiso 1 1 calc R . .
H18B H 0.4137 0.7300 0.7603 0.063 Uiso 1 1 calc R . .
C19 C 0.2072(2) 0.6151(3) 0.7230(2) 0.0387(8) Uani 1 1 d . . .
H19A H 0.2088 0.6978 0.7170 0.046 Uiso 1 1 calc R . .
C20 C 0.1863(2) 0.5593(4) 0.6429(2) 0.0517(10) Uani 1 1 d . . .
H20A H 0.2264 0.5802 0.6248 0.062 Uiso 1 1 calc R . .
H20B H 0.1872 0.4771 0.6485 0.062 Uiso 1 1 calc R . .
C21 C 0.1026(3) 0.5970(5) 0.5820(3) 0.0691(14) Uani 1 1 d . . .
H21A H 0.1031 0.6784 0.5735 0.083 Uiso 1 1 calc R . .
H21B H 0.0899 0.5591 0.5322 0.083 Uiso 1 1 calc R . .
C22 C 0.0378(3) 0.5700(5) 0.6083(3) 0.0720(15) Uani 1 1 d . . .
H22A H 0.0332 0.4881 0.6116 0.086 Uiso 1 1 calc R . .
H22B H -0.0138 0.5988 0.5696 0.086 Uiso 1 1 calc R . .
C23 C 0.0576(3) 0.6231(5) 0.6885(3) 0.0644(13) Uani 1 1 d . . .
H23A H 0.0173 0.5999 0.7059 0.077 Uiso 1 1 calc R . .
H23B H 0.0556 0.7054 0.6836 0.077 Uiso 1 1 calc R . .
C24 C 0.1414(2) 0.5871(4) 0.7501(3) 0.0516(10) Uani 1 1 d . . .
H24A H 0.1414 0.5058 0.7594 0.062 Uiso 1 1 calc R . .
H24B H 0.1536 0.6259 0.7995 0.062 Uiso 1 1 calc R . .
C25 C 0.3554(2) 0.6776(3) 0.8764(2) 0.0346(7) Uani 1 1 d . . .
C26 C 0.4245(2) 0.6346(3) 0.9393(2) 0.0389(8) Uani 1 1 d . . .
H26A H 0.4332 0.5564 0.9428 0.047 Uiso 1 1 calc R . .
C27 C 0.4803(2) 0.7038(4) 0.9964(2) 0.0456(9) Uani 1 1 d . . .
H27A H 0.5254 0.6725 1.0378 0.055 Uiso 1 1 calc R . .
C28 C 0.4683(2) 0.8198(4) 0.9912(2) 0.0506(10) Uani 1 1 d . . .
H28A H 0.5067 0.8679 1.0278 0.061 Uiso 1 1 calc R . .
C29 C 0.3996(2) 0.8641(4) 0.9318(3) 0.0497(10) Uani 1 1 d . . .
H29A H 0.3920 0.9425 0.9294 0.060 Uiso 1 1 calc R . .
C30 C 0.3403(2) 0.7952(3) 0.8745(2) 0.0376(8) Uani 1 1 d . . .
C31 C 0.2673(2) 0.8576(3) 0.8167(2) 0.0403(8) Uani 1 1 d . . .
C32 C 0.2744(3) 0.9194(3) 0.7560(2) 0.0486(9) Uani 1 1 d . . .
H32A H 0.3231 0.9187 0.7520 0.058 Uiso 1 1 calc R . .
C33 C 0.2096(3) 0.9814(4) 0.7021(3) 0.0634(12) Uani 1 1 d . . .
H33A H 0.2149 1.0218 0.6620 0.076 Uiso 1 1 calc R . .
C34 C 0.1378(3) 0.9832(5) 0.7079(3) 0.0766(15) Uani 1 1 d . . .
H34A H 0.0940 1.0236 0.6710 0.092 Uiso 1 1 calc R . .
C35 C 0.1301(3) 0.9254(4) 0.7681(3) 0.0635(12) Uani 1 1 d . . .
H35A H 0.0810 0.9276 0.7711 0.076 Uiso 1 1 calc R . .
C36 C 0.1937(2) 0.8643(4) 0.8241(3) 0.0469(9) Uani 1 1 d . . .
C37 C 0.2341(3) 0.8552(5) 0.9659(3) 0.0733(14) Uani 1 1 d . . .
H37A H 0.2885 0.8670 0.9729 0.110 Uiso 1 1 calc R . .
H37B H 0.2344 0.8035 1.0055 0.110 Uiso 1 1 calc R . .
H37C H 0.2113 0.9267 0.9708 0.110 Uiso 1 1 calc R . .
C38 C 0.1034(3) 0.7887(5) 0.8769(3) 0.0721(14) Uani 1 1 d . . .
H38A H 0.0717 0.7575 0.8253 0.108 Uiso 1 1 calc R . .
H38B H 0.0803 0.8598 0.8820 0.108 Uiso 1 1 calc R . .
H38C H 0.1038 0.7364 0.9163 0.108 Uiso 1 1 calc R . .
H1E H 0.311(4) 0.151(6) 0.837(4) 0.10(2) Uiso 1 1 d . . .
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'
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 79.10(14) . . ?
C6 Pd1 P1 95.00(11) . . ?
N1 Pd1 P1 168.76(10) . . ?
C6 Pd1 Cl1 167.69(11) . . ?
N1 Pd1 Cl1 89.52(10) . . ?
P1 Pd1 Cl1 97.00(4) . . ?
C10 Fe1 C4 106.7(2) . . ?
C10 Fe1 C9 41.31(17) . . ?
C4 Fe1 C9 119.1(2) . . ?
C10 Fe1 C5 119.2(2) . . ?
C4 Fe1 C5 40.8(3) . . ?
C9 Fe1 C5 154.2(3) . . ?
C10 Fe1 C8 68.50(17) . . ?
C4 Fe1 C8 154.4(3) . . ?
C9 Fe1 C8 40.56(18) . . ?
C5 Fe1 C8 163.8(2) . . ?
C10 Fe1 C2 162.3(2) . . ?
C4 Fe1 C2 67.3(3) . . ?
C9 Fe1 C2 125.5(2) . . ?
C5 Fe1 C2 68.0(3) . . ?
C8 Fe1 C2 109.2(2) . . ?
C10 Fe1 C1 154.5(2) . . ?
C4 Fe1 C1 67.6(3) . . ?
C9 Fe1 C1 163.6(2) . . ?
C5 Fe1 C1 40.1(3) . . ?
C8 Fe1 C1 127.5(2) . . ?
C2 Fe1 C1 40.6(2) . . ?
C10 Fe1 C3 124.8(3) . . ?
C4 Fe1 C3 40.4(3) . . ?
C9 Fe1 C3 106.6(2) . . ?
C5 Fe1 C3 68.6(3) . . ?
C8 Fe1 C3 120.3(2) . . ?
C2 Fe1 C3 39.9(3) . . ?
C1 Fe1 C3 68.0(3) . . ?
C10 Fe1 C7 68.40(16) . . ?
C4 Fe1 C7 163.2(2) . . ?
C9 Fe1 C7 68.56(17) . . ?
C5 Fe1 C7 126.3(2) . . ?
C8 Fe1 C7 40.53(16) . . ?
C2 Fe1 C7 122.1(2) . . ?
C1 Fe1 C7 109.5(2) . . ?
C3 Fe1 C7 155.5(2) . . ?
C10 Fe1 C6 41.24(15) . . ?
C4 Fe1 C6 125.7(2) . . ?
C9 Fe1 C6 69.26(16) . . ?
C5 Fe1 C6 107.4(2) . . ?
C8 Fe1 C6 68.21(16) . . ?
C2 Fe1 C6 155.7(2) . . ?
C1 Fe1 C6 120.5(2) . . ?
C3 Fe1 C6 162.7(3) . . ?
C7 Fe1 C6 40.15(14) . . ?
C19 P1 C25 112.35(17) . . ?
C19 P1 C13 105.30(17) . . ?
C25 P1 C13 101.80(17) . . ?
C19 P1 Pd1 112.28(13) . . ?
C25 P1 Pd1 114.81(12) . . ?
C13 P1 Pd1 109.28(13) . . ?
N1 O1 H1E 98(5) . . ?
C11 N1 O1 117.1(4) . . ?
C11 N1 Pd1 118.0(3) . . ?
O1 N1 Pd1 124.8(3) . . ?
C36 N2 C38 115.8(4) . . ?
C36 N2 C37 115.1(4) . . ?
C38 N2 C37 109.8(4) . . ?
C5 C1 C2 108.0(6) . . ?
C5 C1 Fe1 69.6(3) . . ?
C2 C1 Fe1 69.7(3) . . ?
C5 C1 H1A 126.0 . . ?
C2 C1 H1A 126.0 . . ?
Fe1 C1 H1A 126.0 . . ?
C3 C2 C1 108.9(6) . . ?
C3 C2 Fe1 70.4(3) . . ?
C1 C2 Fe1 69.7(3) . . ?
C3 C2 H2A 125.6 . . ?
C1 C2 H2A 125.6 . . ?
Fe1 C2 H2A 125.6 . . ?
C2 C3 C4 106.8(6) . . ?
C2 C3 Fe1 69.6(3) . . ?
C4 C3 Fe1 68.7(3) . . ?
C2 C3 H3A 126.6 . . ?
C4 C3 H3A 126.6 . . ?
Fe1 C3 H3A 126.6 . . ?
C3 C4 C5 109.2(6) . . ?
C3 C4 Fe1 70.8(3) . . ?
C5 C4 Fe1 69.9(3) . . ?
C3 C4 H4A 125.4 . . ?
C5 C4 H4A 125.4 . . ?
Fe1 C4 H4A 125.4 . . ?
C1 C5 C4 107.2(6) . . ?
C1 C5 Fe1 70.4(3) . . ?
C4 C5 Fe1 69.3(3) . . ?
C1 C5 H5A 126.4 . . ?
C4 C5 H5A 126.4 . . ?
Fe1 C5 H5A 126.4 . . ?
C7 C6 C10 106.5(3) . . ?
C7 C6 Pd1 141.4(3) . . ?
C10 C6 Pd1 112.1(3) . . ?
C7 C6 Fe1 69.5(2) . . ?
C10 C6 Fe1 67.2(2) . . ?
Pd1 C6 Fe1 124.88(18) . . ?
C6 C7 C8 108.6(4) . . ?
C6 C7 Fe1 70.3(2) . . ?
C8 C7 Fe1 68.8(2) . . ?
C6 C7 H7A 125.7 . . ?
C8 C7 H7A 125.7 . . ?
Fe1 C7 H7A 125.7 . . ?
C9 C8 C7 109.0(4) . . ?
C9 C8 Fe1 69.3(2) . . ?
C7 C8 Fe1 70.6(2) . . ?
C9 C8 H8A 125.5 . . ?
C7 C8 H8A 125.5 . . ?
Fe1 C8 H8A 125.5 . . ?
C8 C9 C10 107.1(4) . . ?
C8 C9 Fe1 70.1(2) . . ?
C10 C9 Fe1 68.8(2) . . ?
C8 C9 H9A 126.4 . . ?
C10 C9 H9A 126.4 . . ?
Fe1 C9 H9A 126.4 . . ?
C9 C10 C6 108.8(4) . . ?
C9 C10 C11 132.6(4) . . ?
C6 C10 C11 118.2(4) . . ?
C9 C10 Fe1 69.8(2) . . ?
C6 C10 Fe1 71.5(2) . . ?
C11 C10 Fe1 118.7(3) . . ?
N1 C11 C10 112.0(4) . . ?
N1 C11 C12 125.0(4) . . ?
C10 C11 C12 123.0(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 109.8(3) . . ?
C14 C13 P1 114.8(3) . . ?
C18 C13 P1 114.1(3) . . ?
C14 C13 H13A 105.8 . . ?
C18 C13 H13A 105.8 . . ?
P1 C13 H13A 105.8 . . ?
C15 C14 C13 110.5(3) . . ?
C15 C14 H14A 109.6 . . ?
C13 C14 H14A 109.6 . . ?
C15 C14 H14B 109.6 . . ?
C13 C14 H14B 109.6 . . ?
H14A C14 H14B 108.1 . . ?
C16 C15 C14 111.8(4) . . ?
C16 C15 H15A 109.3 . . ?
C14 C15 H15A 109.3 . . ?
C16 C15 H15B 109.3 . . ?
C14 C15 H15B 109.3 . . ?
H15A C15 H15B 107.9 . . ?
C15 C16 C17 111.3(4) . . ?
C15 C16 H16A 109.4 . . ?
C17 C16 H16A 109.4 . . ?
C15 C16 H16B 109.4 . . ?
C17 C16 H16B 109.4 . . ?
H16A C16 H16B 108.0 . . ?
C18 C17 C16 111.6(4) . . ?
C18 C17 H17A 109.3 . . ?
C16 C17 H17A 109.3 . . ?
C18 C17 H17B 109.3 . . ?
C16 C17 H17B 109.3 . . ?
H17A C17 H17B 108.0 . . ?
C17 C18 C13 110.4(4) . . ?
C17 C18 H18A 109.6 . . ?
C13 C18 H18A 109.6 . . ?
C17 C18 H18B 109.6 . . ?
C13 C18 H18B 109.6 . . ?
H18A C18 H18B 108.1 . . ?
C20 C19 C24 109.8(3) . . ?
C20 C19 P1 112.4(3) . . ?
C24 C19 P1 108.9(3) . . ?
C20 C19 H19A 108.6 . . ?
C24 C19 H19A 108.6 . . ?
P1 C19 H19A 108.6 . . ?
C21 C20 C19 110.6(4) . . ?
C21 C20 H20A 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C21 C20 H20B 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 108.1 . . ?
C22 C21 C20 111.9(4) . . ?
C22 C21 H21A 109.2 . . ?
C20 C21 H21A 109.2 . . ?
C22 C21 H21B 109.2 . . ?
C20 C21 H21B 109.2 . . ?
H21A C21 H21B 107.9 . . ?
C21 C22 C23 110.9(4) . . ?
C21 C22 H22A 109.5 . . ?
C23 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C23 C22 H22B 109.5 . . ?
H22A C22 H22B 108.0 . . ?
C22 C23 C24 111.3(4) . . ?
C22 C23 H23A 109.4 . . ?
C24 C23 H23A 109.4 . . ?
C22 C23 H23B 109.4 . . ?
C24 C23 H23B 109.4 . . ?
H23A C23 H23B 108.0 . . ?
C23 C24 C19 111.5(4) . . ?
C23 C24 H24A 109.3 . . ?
C19 C24 H24A 109.3 . . ?
C23 C24 H24B 109.3 . . ?
C19 C24 H24B 109.3 . . ?
H24A C24 H24B 108.0 . . ?
C26 C25 C30 118.2(3) . . ?
C26 C25 P1 111.2(3) . . ?
C30 C25 P1 129.9(3) . . ?
C27 C26 C25 122.5(4) . . ?
C27 C26 H26A 118.7 . . ?
C25 C26 H26A 118.7 . . ?
C28 C27 C26 119.1(4) . . ?
C28 C27 H27A 120.4 . . ?
C26 C27 H27A 120.4 . . ?
C29 C28 C27 119.6(4) . . ?
C29 C28 H28A 120.2 . . ?
C27 C28 H28A 120.2 . . ?
C28 C29 C30 122.4(4) . . ?
C28 C29 H29A 118.8 . . ?
C30 C29 H29A 118.8 . . ?
C25 C30 C29 117.9(3) . . ?
C25 C30 C31 127.1(3) . . ?
C29 C30 C31 115.1(3) . . ?
C32 C31 C36 118.7(4) . . ?
C32 C31 C30 118.1(3) . . ?
C36 C31 C30 123.0(4) . . ?
C33 C32 C31 120.8(4) . . ?
C33 C32 H32A 119.6 . . ?
C31 C32 H32A 119.6 . . ?
C34 C33 C32 119.9(5) . . ?
C34 C33 H33A 120.1 . . ?
C32 C33 H33A 120.1 . . ?
C33 C34 C35 120.3(5) . . ?
C33 C34 H34A 119.8 . . ?
C35 C34 H34A 119.8 . . ?
C34 C35 C36 121.7(4) . . ?
C34 C35 H35A 119.2 . . ?
C36 C35 H35A 119.2 . . ?
C35 C36 C31 118.5(4) . . ?
C35 C36 N2 121.1(4) . . ?
C31 C36 N2 120.3(4) . . ?
N2 C37 H37A 109.5 . . ?
N2 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
N2 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N2 C38 H38A 109.5 . . ?
N2 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
N2 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
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
Pd1 C6 1.991(4) . ?
Pd1 N1 2.114(3) . ?
Pd1 P1 2.2598(10) . ?
Pd1 Cl1 2.4067(11) . ?
Fe1 C10 2.023(4) . ?
Fe1 C4 2.035(5) . ?
Fe1 C9 2.036(4) . ?
Fe1 C5 2.043(5) . ?
Fe1 C8 2.047(4) . ?
Fe1 C2 2.052(5) . ?
Fe1 C1 2.053(5) . ?
Fe1 C3 2.063(5) . ?
Fe1 C7 2.070(4) . ?
Fe1 C6 2.081(4) . ?
P1 C19 1.847(4) . ?
P1 C25 1.848(4) . ?
P1 C13 1.852(4) . ?
O1 N1 1.387(4) . ?
O1 H1E 0.83(6) . ?
N1 C11 1.281(5) . ?
N2 C36 1.432(5) . ?
N2 C38 1.453(6) . ?
N2 C37 1.459(6) . ?
C1 C5 1.404(9) . ?
C1 C2 1.425(9) . ?
C1 H1A 0.9800 . ?
C2 C3 1.405(10) . ?
C2 H2A 0.9800 . ?
C3 C4 1.417(9) . ?
C3 H3A 0.9800 . ?
C4 C5 1.422(9) . ?
C4 H4A 0.9800 . ?
C5 H5A 0.9800 . ?
C6 C7 1.425(5) . ?
C6 C10 1.446(5) . ?
C7 C8 1.426(6) . ?
C7 H7A 0.9800 . ?
C8 C9 1.415(6) . ?
C8 H8A 0.9800 . ?
C9 C10 1.432(6) . ?
C9 H9A 0.9800 . ?
C10 C11 1.451(6) . ?
C11 C12 1.492(6) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.537(5) . ?
C13 C18 1.540(6) . ?
C13 H13A 0.9800 . ?
C14 C15 1.520(6) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.513(8) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.535(7) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.515(6) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.530(5) . ?
C19 C24 1.539(6) . ?
C19 H19A 0.9800 . ?
C20 C21 1.529(6) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.509(8) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C23 1.523(7) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.527(6) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 C26 1.398(5) . ?
C25 C30 1.406(5) . ?
C26 C27 1.379(5) . ?
C26 H26A 0.9300 . ?
C27 C28 1.377(6) . ?
C27 H27A 0.9300 . ?
C28 C29 1.371(6) . ?
C28 H28A 0.9300 . ?
C29 C30 1.406(5) . ?
C29 H29A 0.9300 . ?
C30 C31 1.498(5) . ?
C31 C32 1.405(6) . ?
C31 C36 1.422(5) . ?
C32 C33 1.386(6) . ?
C32 H32A 0.9300 . ?
C33 C34 1.372(7) . ?
C33 H33A 0.9300 . ?
C34 C35 1.380(7) . ?
C34 H34A 0.9300 . ?
C35 C36 1.384(6) . ?
C35 H35A 0.9300 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H1E Cl1 0.83(6) 2.39(7) 3.151(4) 153(6) .
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 C19 -100.42(17) . . . . ?
N1 Pd1 P1 C19 -158.1(5) . . . . ?
Cl1 Pd1 P1 C19 76.83(14) . . . . ?
C6 Pd1 P1 C25 29.53(16) . . . . ?
N1 Pd1 P1 C25 -28.2(5) . . . . ?
Cl1 Pd1 P1 C25 -153.22(13) . . . . ?
C6 Pd1 P1 C13 143.13(16) . . . . ?
N1 Pd1 P1 C13 85.4(5) . . . . ?
Cl1 Pd1 P1 C13 -39.62(13) . . . . ?
C6 Pd1 N1 C11 -7.2(3) . . . . ?
P1 Pd1 N1 C11 51.8(7) . . . . ?
Cl1 Pd1 N1 C11 177.5(3) . . . . ?
C6 Pd1 N1 O1 177.3(4) . . . . ?
P1 Pd1 N1 O1 -123.7(5) . . . . ?
Cl1 Pd1 N1 O1 2.0(3) . . . . ?
C10 Fe1 C1 C5 43.2(7) . . . . ?
C4 Fe1 C1 C5 -38.6(4) . . . . ?
C9 Fe1 C1 C5 -156.3(7) . . . . ?
C8 Fe1 C1 C5 165.5(3) . . . . ?
C2 Fe1 C1 C5 -119.4(6) . . . . ?
C3 Fe1 C1 C5 -82.4(4) . . . . ?
C7 Fe1 C1 C5 123.7(4) . . . . ?
C6 Fe1 C1 C5 80.8(4) . . . . ?
C10 Fe1 C1 C2 162.6(5) . . . . ?
C4 Fe1 C1 C2 80.8(4) . . . . ?
C9 Fe1 C1 C2 -36.9(10) . . . . ?
C5 Fe1 C1 C2 119.4(6) . . . . ?
C8 Fe1 C1 C2 -75.1(5) . . . . ?
C3 Fe1 C1 C2 36.9(4) . . . . ?
C7 Fe1 C1 C2 -117.0(4) . . . . ?
C6 Fe1 C1 C2 -159.9(4) . . . . ?
C5 C1 C2 C3 -0.6(6) . . . . ?
Fe1 C1 C2 C3 -59.8(4) . . . . ?
C5 C1 C2 Fe1 59.2(4) . . . . ?
C10 Fe1 C2 C3 -35.1(10) . . . . ?
C4 Fe1 C2 C3 38.2(4) . . . . ?
C9 Fe1 C2 C3 -72.2(5) . . . . ?
C5 Fe1 C2 C3 82.5(4) . . . . ?
C8 Fe1 C2 C3 -114.5(4) . . . . ?
C1 Fe1 C2 C3 119.8(6) . . . . ?
C7 Fe1 C2 C3 -157.5(4) . . . . ?
C6 Fe1 C2 C3 166.0(4) . . . . ?
C10 Fe1 C2 C1 -154.9(6) . . . . ?
C4 Fe1 C2 C1 -81.6(4) . . . . ?
C9 Fe1 C2 C1 168.0(4) . . . . ?
C5 Fe1 C2 C1 -37.3(4) . . . . ?
C8 Fe1 C2 C1 125.7(4) . . . . ?
C3 Fe1 C2 C1 -119.8(6) . . . . ?
C7 Fe1 C2 C1 82.7(4) . . . . ?
C6 Fe1 C2 C1 46.2(7) . . . . ?
C1 C2 C3 C4 0.4(6) . . . . ?
Fe1 C2 C3 C4 -58.9(4) . . . . ?
C1 C2 C3 Fe1 59.3(4) . . . . ?
C10 Fe1 C3 C2 167.7(3) . . . . ?
C4 Fe1 C3 C2 -118.3(6) . . . . ?
C9 Fe1 C3 C2 126.0(4) . . . . ?
C5 Fe1 C3 C2 -80.8(4) . . . . ?
C8 Fe1 C3 C2 84.1(4) . . . . ?
C1 Fe1 C3 C2 -37.5(4) . . . . ?
C7 Fe1 C3 C2 51.4(7) . . . . ?
C6 Fe1 C3 C2 -160.4(6) . . . . ?
C10 Fe1 C3 C4 -74.0(5) . . . . ?
C9 Fe1 C3 C4 -115.6(4) . . . . ?
C5 Fe1 C3 C4 37.5(4) . . . . ?
C8 Fe1 C3 C4 -157.6(4) . . . . ?
C2 Fe1 C3 C4 118.3(6) . . . . ?
C1 Fe1 C3 C4 80.8(4) . . . . ?
C7 Fe1 C3 C4 169.7(5) . . . . ?
C6 Fe1 C3 C4 -42.1(9) . . . . ?
C2 C3 C4 C5 -0.1(6) . . . . ?
Fe1 C3 C4 C5 -59.6(4) . . . . ?
C2 C3 C4 Fe1 59.5(4) . . . . ?
C10 Fe1 C4 C3 124.5(4) . . . . ?
C9 Fe1 C4 C3 81.5(4) . . . . ?
C5 Fe1 C4 C3 -119.8(6) . . . . ?
C8 Fe1 C4 C3 49.6(7) . . . . ?
C2 Fe1 C4 C3 -37.8(4) . . . . ?
C1 Fe1 C4 C3 -81.9(4) . . . . ?
C7 Fe1 C4 C3 -165.1(7) . . . . ?
C6 Fe1 C4 C3 165.8(4) . . . . ?
C10 Fe1 C4 C5 -115.6(4) . . . . ?
C9 Fe1 C4 C5 -158.7(4) . . . . ?
C8 Fe1 C4 C5 169.4(5) . . . . ?
C2 Fe1 C4 C5 82.1(4) . . . . ?
C1 Fe1 C4 C5 37.9(4) . . . . ?
C3 Fe1 C4 C5 119.8(6) . . . . ?
C7 Fe1 C4 C5 -45.3(10) . . . . ?
C6 Fe1 C4 C5 -74.4(4) . . . . ?
C2 C1 C5 C4 0.5(6) . . . . ?
Fe1 C1 C5 C4 59.8(4) . . . . ?
C2 C1 C5 Fe1 -59.2(4) . . . . ?
C3 C4 C5 C1 -0.3(6) . . . . ?
Fe1 C4 C5 C1 -60.4(4) . . . . ?
C3 C4 C5 Fe1 60.2(4) . . . . ?
C10 Fe1 C5 C1 -160.2(3) . . . . ?
C4 Fe1 C5 C1 118.1(5) . . . . ?
C9 Fe1 C5 C1 164.9(4) . . . . ?
C8 Fe1 C5 C1 -45.4(9) . . . . ?
C2 Fe1 C5 C1 37.7(4) . . . . ?
C3 Fe1 C5 C1 80.9(4) . . . . ?
C7 Fe1 C5 C1 -76.7(4) . . . . ?
C6 Fe1 C5 C1 -116.9(4) . . . . ?
C10 Fe1 C5 C4 81.7(4) . . . . ?
C9 Fe1 C5 C4 46.8(7) . . . . ?
C8 Fe1 C5 C4 -163.4(7) . . . . ?
C2 Fe1 C5 C4 -80.3(4) . . . . ?
C1 Fe1 C5 C4 -118.1(5) . . . . ?
C3 Fe1 C5 C4 -37.2(4) . . . . ?
C7 Fe1 C5 C4 165.2(4) . . . . ?
C6 Fe1 C5 C4 125.0(4) . . . . ?
N1 Pd1 C6 C7 -171.0(5) . . . . ?
P1 Pd1 C6 C7 18.6(4) . . . . ?
Cl1 Pd1 C6 C7 -148.5(4) . . . . ?
N1 Pd1 C6 C10 6.7(3) . . . . ?
P1 Pd1 C6 C10 -163.6(2) . . . . ?
Cl1 Pd1 C6 C10 29.3(7) . . . . ?
N1 Pd1 C6 Fe1 -70.2(2) . . . . ?
P1 Pd1 C6 Fe1 119.50(19) . . . . ?
Cl1 Pd1 C6 Fe1 -47.6(6) . . . . ?
C10 Fe1 C6 C7 -119.1(3) . . . . ?
C4 Fe1 C6 C7 167.4(3) . . . . ?
C9 Fe1 C6 C7 -80.9(2) . . . . ?
C5 Fe1 C6 C7 126.1(3) . . . . ?
C8 Fe1 C6 C7 -37.3(2) . . . . ?
C2 Fe1 C6 C7 51.3(6) . . . . ?
C1 Fe1 C6 C7 84.4(3) . . . . ?
C3 Fe1 C6 C7 -160.2(7) . . . . ?
C4 Fe1 C6 C10 -73.5(3) . . . . ?
C9 Fe1 C6 C10 38.1(2) . . . . ?
C5 Fe1 C6 C10 -114.8(3) . . . . ?
C8 Fe1 C6 C10 81.8(3) . . . . ?
C2 Fe1 C6 C10 170.4(5) . . . . ?
C1 Fe1 C6 C10 -156.5(3) . . . . ?
C3 Fe1 C6 C10 -41.1(8) . . . . ?
C7 Fe1 C6 C10 119.1(3) . . . . ?
C10 Fe1 C6 Pd1 101.8(3) . . . . ?
C4 Fe1 C6 Pd1 28.3(4) . . . . ?
C9 Fe1 C6 Pd1 139.9(3) . . . . ?
C5 Fe1 C6 Pd1 -13.0(3) . . . . ?
C8 Fe1 C6 Pd1 -176.4(3) . . . . ?
C2 Fe1 C6 Pd1 -87.8(6) . . . . ?
C1 Fe1 C6 Pd1 -54.7(3) . . . . ?
C3 Fe1 C6 Pd1 60.7(8) . . . . ?
C7 Fe1 C6 Pd1 -139.1(3) . . . . ?
C10 C6 C7 C8 1.2(4) . . . . ?
Pd1 C6 C7 C8 179.1(3) . . . . ?
Fe1 C6 C7 C8 58.4(3) . . . . ?
C10 C6 C7 Fe1 -57.2(2) . . . . ?
Pd1 C6 C7 Fe1 120.7(4) . . . . ?
C10 Fe1 C7 C6 38.3(2) . . . . ?
C4 Fe1 C7 C6 -37.7(9) . . . . ?
C9 Fe1 C7 C6 82.9(2) . . . . ?
C5 Fe1 C7 C6 -72.9(4) . . . . ?
C8 Fe1 C7 C6 120.0(3) . . . . ?
C2 Fe1 C7 C6 -157.7(3) . . . . ?
C1 Fe1 C7 C6 -114.5(3) . . . . ?
C3 Fe1 C7 C6 166.0(5) . . . . ?
C10 Fe1 C7 C8 -81.8(3) . . . . ?
C4 Fe1 C7 C8 -157.7(8) . . . . ?
C9 Fe1 C7 C8 -37.2(3) . . . . ?
C5 Fe1 C7 C8 167.1(3) . . . . ?
C2 Fe1 C7 C8 82.2(3) . . . . ?
C1 Fe1 C7 C8 125.4(3) . . . . ?
C3 Fe1 C7 C8 45.9(6) . . . . ?
C6 Fe1 C7 C8 -120.0(3) . . . . ?
C6 C7 C8 C9 -0.4(5) . . . . ?
Fe1 C7 C8 C9 58.9(3) . . . . ?
C6 C7 C8 Fe1 -59.3(3) . . . . ?
C10 Fe1 C8 C9 -38.6(2) . . . . ?
C4 Fe1 C8 C9 45.2(6) . . . . ?
C5 Fe1 C8 C9 -160.3(7) . . . . ?
C2 Fe1 C8 C9 122.6(3) . . . . ?
C1 Fe1 C8 C9 164.4(3) . . . . ?
C3 Fe1 C8 C9 80.1(4) . . . . ?
C7 Fe1 C8 C9 -120.1(4) . . . . ?
C6 Fe1 C8 C9 -83.1(3) . . . . ?
C10 Fe1 C8 C7 81.5(3) . . . . ?
C4 Fe1 C8 C7 165.3(5) . . . . ?
C9 Fe1 C8 C7 120.1(4) . . . . ?
C5 Fe1 C8 C7 -40.2(9) . . . . ?
C2 Fe1 C8 C7 -117.3(3) . . . . ?
C1 Fe1 C8 C7 -75.5(3) . . . . ?
C3 Fe1 C8 C7 -159.8(3) . . . . ?
C6 Fe1 C8 C7 36.9(2) . . . . ?
C7 C8 C9 C10 -0.5(5) . . . . ?
Fe1 C8 C9 C10 59.1(3) . . . . ?
C7 C8 C9 Fe1 -59.7(3) . . . . ?
C10 Fe1 C9 C8 118.4(3) . . . . ?
C4 Fe1 C9 C8 -159.4(3) . . . . ?
C5 Fe1 C9 C8 167.5(4) . . . . ?
C2 Fe1 C9 C8 -77.7(4) . . . . ?
C1 Fe1 C9 C8 -49.0(8) . . . . ?
C3 Fe1 C9 C8 -117.4(3) . . . . ?
C7 Fe1 C9 C8 37.2(2) . . . . ?
C6 Fe1 C9 C8 80.3(3) . . . . ?
C4 Fe1 C9 C10 82.2(3) . . . . ?
C5 Fe1 C9 C10 49.1(6) . . . . ?
C8 Fe1 C9 C10 -118.4(3) . . . . ?
C2 Fe1 C9 C10 163.9(3) . . . . ?
C1 Fe1 C9 C10 -167.4(7) . . . . ?
C3 Fe1 C9 C10 124.2(3) . . . . ?
C7 Fe1 C9 C10 -81.2(2) . . . . ?
C6 Fe1 C9 C10 -38.1(2) . . . . ?
C8 C9 C10 C6 1.3(4) . . . . ?
Fe1 C9 C10 C6 61.2(3) . . . . ?
C8 C9 C10 C11 -170.9(4) . . . . ?
Fe1 C9 C10 C11 -111.0(5) . . . . ?
C8 C9 C10 Fe1 -59.9(3) . . . . ?
C7 C6 C10 C9 -1.6(4) . . . . ?
Pd1 C6 C10 C9 179.9(3) . . . . ?
Fe1 C6 C10 C9 -60.2(3) . . . . ?
C7 C6 C10 C11 171.9(3) . . . . ?
Pd1 C6 C10 C11 -6.6(4) . . . . ?
Fe1 C6 C10 C11 113.3(3) . . . . ?
C7 C6 C10 Fe1 58.6(3) . . . . ?
Pd1 C6 C10 Fe1 -119.9(2) . . . . ?
C4 Fe1 C10 C9 -115.4(3) . . . . ?
C5 Fe1 C10 C9 -157.9(3) . . . . ?
C8 Fe1 C10 C9 37.9(2) . . . . ?
C2 Fe1 C10 C9 -48.0(8) . . . . ?
C1 Fe1 C10 C9 171.8(5) . . . . ?
C3 Fe1 C10 C9 -74.8(3) . . . . ?
C7 Fe1 C10 C9 81.7(2) . . . . ?
C6 Fe1 C10 C9 119.0(3) . . . . ?
C4 Fe1 C10 C6 125.7(3) . . . . ?
C9 Fe1 C10 C6 -119.0(3) . . . . ?
C5 Fe1 C10 C6 83.2(3) . . . . ?
C8 Fe1 C10 C6 -81.0(2) . . . . ?
C2 Fe1 C10 C6 -167.0(7) . . . . ?
C1 Fe1 C10 C6 52.8(6) . . . . ?
C3 Fe1 C10 C6 166.3(3) . . . . ?
C7 Fe1 C10 C6 -37.3(2) . . . . ?
C4 Fe1 C10 C11 13.0(4) . . . . ?
C9 Fe1 C10 C11 128.4(4) . . . . ?
C5 Fe1 C10 C11 -29.5(4) . . . . ?
C8 Fe1 C10 C11 166.3(4) . . . . ?
C2 Fe1 C10 C11 80.3(8) . . . . ?
C1 Fe1 C10 C11 -59.8(6) . . . . ?
C3 Fe1 C10 C11 53.6(4) . . . . ?
C7 Fe1 C10 C11 -150.0(4) . . . . ?
C6 Fe1 C10 C11 -112.7(4) . . . . ?
O1 N1 C11 C10 -178.8(4) . . . . ?
Pd1 N1 C11 C10 5.3(5) . . . . ?
O1 N1 C11 C12 1.2(7) . . . . ?
Pd1 N1 C11 C12 -174.6(4) . . . . ?
C9 C10 C11 N1 172.4(4) . . . . ?
C6 C10 C11 N1 0.8(5) . . . . ?
Fe1 C10 C11 N1 84.2(4) . . . . ?
C9 C10 C11 C12 -7.6(7) . . . . ?
C6 C10 C11 C12 -179.2(4) . . . . ?
Fe1 C10 C11 C12 -95.9(5) . . . . ?
C19 P1 C13 C14 -171.7(3) . . . . ?
C25 P1 C13 C14 70.9(3) . . . . ?
Pd1 P1 C13 C14 -50.9(3) . . . . ?
C19 P1 C13 C18 60.3(3) . . . . ?
C25 P1 C13 C18 -57.0(3) . . . . ?
Pd1 P1 C13 C18 -178.9(2) . . . . ?
C18 C13 C14 C15 -57.9(5) . . . . ?
P1 C13 C14 C15 172.1(3) . . . . ?
C13 C14 C15 C16 56.7(5) . . . . ?
C14 C15 C16 C17 -54.5(6) . . . . ?
C15 C16 C17 C18 54.5(6) . . . . ?
C16 C17 C18 C13 -56.4(6) . . . . ?
C14 C13 C18 C17 58.0(5) . . . . ?
P1 C13 C18 C17 -171.6(3) . . . . ?
C25 P1 C19 C20 150.9(3) . . . . ?
C13 P1 C19 C20 40.9(3) . . . . ?
Pd1 P1 C19 C20 -77.9(3) . . . . ?
C25 P1 C19 C24 -87.2(3) . . . . ?
C13 P1 C19 C24 162.8(3) . . . . ?
Pd1 P1 C19 C24 44.0(3) . . . . ?
C24 C19 C20 C21 56.4(5) . . . . ?
P1 C19 C20 C21 177.7(3) . . . . ?
C19 C20 C21 C22 -57.3(6) . . . . ?
C20 C21 C22 C23 56.1(6) . . . . ?
C21 C22 C23 C24 -54.9(6) . . . . ?
C22 C23 C24 C19 55.5(6) . . . . ?
C20 C19 C24 C23 -56.1(5) . . . . ?
P1 C19 C24 C23 -179.5(3) . . . . ?
C19 P1 C25 C26 171.9(3) . . . . ?
C13 P1 C25 C26 -75.9(3) . . . . ?
Pd1 P1 C25 C26 42.0(3) . . . . ?
C19 P1 C25 C30 -17.8(4) . . . . ?
C13 P1 C25 C30 94.3(4) . . . . ?
Pd1 P1 C25 C30 -147.8(3) . . . . ?
C30 C25 C26 C27 -4.0(6) . . . . ?
P1 C25 C26 C27 167.5(3) . . . . ?
C25 C26 C27 C28 -0.6(6) . . . . ?
C26 C27 C28 C29 3.0(6) . . . . ?
C27 C28 C29 C30 -0.8(7) . . . . ?
C26 C25 C30 C29 6.0(5) . . . . ?
P1 C25 C30 C29 -163.6(3) . . . . ?
C26 C25 C30 C31 -174.9(4) . . . . ?
P1 C25 C30 C31 15.4(6) . . . . ?
C28 C29 C30 C25 -3.9(6) . . . . ?
C28 C29 C30 C31 177.0(4) . . . . ?
C25 C30 C31 C32 -102.8(5) . . . . ?
C29 C30 C31 C32 76.2(5) . . . . ?
C25 C30 C31 C36 82.3(5) . . . . ?
C29 C30 C31 C36 -98.7(5) . . . . ?
C36 C31 C32 C33 -3.0(6) . . . . ?
C30 C31 C32 C33 -178.2(4) . . . . ?
C31 C32 C33 C34 0.3(8) . . . . ?
C32 C33 C34 C35 1.3(9) . . . . ?
C33 C34 C35 C36 -0.1(9) . . . . ?
C34 C35 C36 C31 -2.7(8) . . . . ?
C34 C35 C36 N2 178.1(5) . . . . ?
C32 C31 C36 C35 4.2(6) . . . . ?
C30 C31 C36 C35 179.1(4) . . . . ?
C32 C31 C36 N2 -176.6(4) . . . . ?
C30 C31 C36 N2 -1.8(6) . . . . ?
C38 N2 C36 C35 17.9(6) . . . . ?
C37 N2 C36 C35 -111.9(5) . . . . ?
C38 N2 C36 C31 -161.3(4) . . . . ?
C37 N2 C36 C31 68.9(5) . . . . ?
