#------------------------------------------------------------------------------
#$Date: 2016-03-25 17:03:15 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180001 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/95/7029598.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_7029598
loop_
_publ_author_name
'Tohmé, Ayham'
'Labouille, Stéphanie'
'Roisnel, Thierry'
'Dorcet, Vincent'
'Carmichael, Duncan'
'Paul, Frédéric'
_publ_section_title
;
 Redox-active phosphines: synthesis and crystal structures of
 palladium(ii) complexes of a metallaphosphine in two different oxidation
 states.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7002
_journal_page_last               7005
_journal_paper_doi               10.1039/c4dt00455h
_journal_volume                  43
_journal_year                    2014
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C100 H98 Cl4 Fe2 P6 Pd2, 2(F6 P)'
_chemical_formula_sum            'C100 H98 Cl4 F12 Fe2 P8 Pd2'
_chemical_formula_weight         2241.84
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_date             2013-01-21T17:13:32-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                91.262(2)
_cell_angle_beta                 98.633(2)
_cell_angle_gamma                106.329(2)
_cell_formula_units_Z            1
_cell_length_a                   9.1942(4)
_cell_length_b                   14.2910(6)
_cell_length_c                   19.6889(8)
_cell_measurement_reflns_used    4538
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.85
_cell_measurement_theta_min      2.4
_cell_measurement_wavelength     0.71073
_cell_volume                     2448.90(18)
_computing_cell_refinement       'Bruker APEX2 (Bruker, 2006)'
_computing_data_collection       'Bruker APEX2 (Bruker, 2006)'
_computing_data_reduction        'Bruker APEX2 (Bruker, 2006)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material
;
           WinGX publication routines (Farrugia, 1999),
           CRYSCAL (T. Roisnel, local program)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.97
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0559
_diffrn_reflns_av_unetI/netI     0.0935
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            28200
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         27.44
_diffrn_reflns_theta_min         2.98
_exptl_absorpt_coefficient_mu    0.960
_exptl_absorpt_correction_T_max  0.917
_exptl_absorpt_correction_T_min  0.685
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2002). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.52
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       stick
_exptl_crystal_F_000             1138
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.154
_refine_diff_density_min         -0.998
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     582
_refine_ls_number_reflns         10716
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.1099
_refine_ls_R_factor_gt           0.053
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0344P)²+5.7105P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0996
_refine_ls_wR_factor_ref         0.1252
_reflns_number_gt                6740
_reflns_number_total             10716
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt00455h2.cif
_cod_data_source_block           AY243
_cod_depositor_comments
;Adding full bibliography for
 ./tmp-cod-update-bibliographies-12899/cifs/7029598.cif.
;
_cod_database_code               7029598
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
Pd1 Pd 0.00387(4) 0.42876(3) 0.570099(17) 0.02041(11) Uani 1 1 d .
Cl1 Cl -0.16789(15) 0.29509(10) 0.60216(6) 0.0321(3) Uani 1 1 d .
Cl2 Cl -0.16905(15) 0.43129(9) 0.46466(6) 0.0333(4) Uani 1 1 d .
Fe1 Fe 0.20468(8) 0.13322(5) 0.76318(3) 0.01845(16) Uani 1 1 d .
P1 P 0.35286(15) 0.12348(9) 0.68121(6) 0.0215(3) Uani 1 1 d .
P2 P 0.42127(16) 0.24275(9) 0.82453(6) 0.0213(3) Uani 1 1 d .
P3 P 0.15786(14) 0.43546(9) 0.66945(6) 0.0171(3) Uani 1 1 d .
C1 C -0.0018(6) 0.1086(4) 0.8045(2) 0.0270(12) Uani 1 1 d .
C2 C 0.1008(6) 0.0673(3) 0.8479(2) 0.0253(12) Uani 1 1 d .
C3 C 0.1303(6) -0.0078(3) 0.8080(2) 0.0230(11) Uani 1 1 d .
C4 C 0.0457(6) -0.0137(3) 0.7400(2) 0.0231(11) Uani 1 1 d .
C5 C -0.0372(6) 0.0580(4) 0.7380(2) 0.0245(11) Uani 1 1 d .
C6 C -0.0720(6) 0.1859(4) 0.8255(3) 0.0329(13) Uani 1 1 d .
H6A H -0.0962 0.2216 0.7855 0.049 Uiso 1 1 calc R
H6B H 0.0009 0.2316 0.8612 0.049 Uiso 1 1 calc R
H6C H -0.1665 0.155 0.8436 0.049 Uiso 1 1 calc R
C7 C 0.1442(7) 0.0846(4) 0.9243(2) 0.0340(14) Uani 1 1 d .
H7A H 0.1218 0.1442 0.9392 0.051 Uiso 1 1 calc R
H7B H 0.2542 0.092 0.9374 0.051 Uiso 1 1 calc R
H7C H 0.0851 0.0289 0.9464 0.051 Uiso 1 1 calc R
C8 C 0.2064(6) -0.0823(4) 0.8354(3) 0.0303(13) Uani 1 1 d .
H8A H 0.1279 -0.1425 0.8418 0.046 Uiso 1 1 calc R
H8B H 0.272 -0.0569 0.8797 0.046 Uiso 1 1 calc R
H8C H 0.2692 -0.0963 0.8026 0.046 Uiso 1 1 calc R
C9 C 0.0256(7) -0.0917(4) 0.6846(2) 0.0312(13) Uani 1 1 d .
H9A H -0.0667 -0.1453 0.6874 0.047 Uiso 1 1 calc R
H9B H 0.1156 -0.1165 0.6904 0.047 Uiso 1 1 calc R
H9C H 0.0147 -0.0644 0.6395 0.047 Uiso 1 1 calc R
C10 C -0.1525(6) 0.0695(4) 0.6792(3) 0.0318(13) Uani 1 1 d .
H10A H -0.2562 0.0373 0.6881 0.048 Uiso 1 1 calc R
H10B H -0.136 0.0396 0.6368 0.048 Uiso 1 1 calc R
H10C H -0.1408 0.1391 0.674 0.048 Uiso 1 1 calc R
C11 C 0.5430(6) 0.2879(4) 0.7590(2) 0.0239(11) Uani 1 1 d .
H11A H 0.4989 0.3313 0.7291 0.029 Uiso 1 1 calc R
H11B H 0.6476 0.3254 0.7814 0.029 Uiso 1 1 calc R
C12 C 0.5493(6) 0.1996(4) 0.7166(2) 0.0264(12) Uani 1 1 d .
H12A H 0.6038 0.1605 0.7458 0.032 Uiso 1 1 calc R
H12B H 0.6069 0.2215 0.6784 0.032 Uiso 1 1 calc R
C13 C 0.5569(6) 0.2074(4) 0.8906(2) 0.0268(12) Uani 1 1 d .
C14 C 0.5510(6) 0.1099(4) 0.8972(2) 0.0277(12) Uani 1 1 d .
H14 H 0.4722 0.0602 0.8694 0.033 Uiso 1 1 calc R
C15 C 0.6610(7) 0.0844(4) 0.9448(3) 0.0404(15) Uani 1 1 d .
H15 H 0.6581 0.0177 0.9488 0.048 Uiso 1 1 calc R
C16 C 0.7729(8) 0.1566(5) 0.9856(3) 0.0456(17) Uani 1 1 d .
H16 H 0.847 0.1397 1.0183 0.055 Uiso 1 1 calc R
C17 C 0.7784(8) 0.2536(5) 0.9793(3) 0.0445(16) Uani 1 1 d .
H17 H 0.856 0.3032 1.0078 0.053 Uiso 1 1 calc R
C18 C 0.6712(7) 0.2787(4) 0.9318(3) 0.0366(14) Uani 1 1 d .
H18 H 0.6762 0.3456 0.9276 0.044 Uiso 1 1 calc R
C19 C 0.3960(6) 0.3496(3) 0.8679(2) 0.0245(12) Uani 1 1 d .
C20 C 0.3273(7) 0.3388(4) 0.9267(3) 0.0392(15) Uani 1 1 d .
H20 H 0.2968 0.2762 0.9443 0.047 Uiso 1 1 calc R
C21 C 0.3026(8) 0.4186(5) 0.9599(3) 0.0478(17) Uani 1 1 d .
H21 H 0.2548 0.4101 0.9998 0.057 Uiso 1 1 calc R
C22 C 0.3472(8) 0.5095(4) 0.9350(3) 0.0467(17) Uani 1 1 d .
H22 H 0.3284 0.5638 0.957 0.056 Uiso 1 1 calc R
C23 C 0.4191(8) 0.5219(4) 0.8782(3) 0.0484(18) Uani 1 1 d .
H23 H 0.4529 0.5853 0.862 0.058 Uiso 1 1 calc R
C24 C 0.4431(8) 0.4420(4) 0.8437(3) 0.0399(16) Uani 1 1 d .
H24 H 0.4915 0.4511 0.804 0.048 Uiso 1 1 calc R
C25 C 0.3771(6) 0.0048(4) 0.6566(2) 0.0255(12) Uani 1 1 d .
C26 C 0.4436(6) -0.0453(4) 0.7061(3) 0.0304(13) Uani 1 1 d .
H26 H 0.4857 -0.0146 0.7508 0.037 Uiso 1 1 calc R
C27 C 0.4494(7) -0.1398(4) 0.6910(3) 0.0360(14) Uani 1 1 d .
H27 H 0.4948 -0.1736 0.7251 0.043 Uiso 1 1 calc R
C28 C 0.3885(7) -0.1835(4) 0.6262(3) 0.0416(15) Uani 1 1 d .
H28 H 0.389 -0.2487 0.6162 0.05 Uiso 1 1 calc R
C29 C 0.3276(7) -0.1350(4) 0.5761(3) 0.0389(15) Uani 1 1 d .
H29 H 0.2897 -0.1658 0.5312 0.047 Uiso 1 1 calc R
C30 C 0.3203(6) -0.0401(4) 0.5903(3) 0.0336(13) Uani 1 1 d .
H30 H 0.2772 -0.0066 0.5552 0.04 Uiso 1 1 calc R
C31 C 0.3018(6) 0.1710(3) 0.5982(2) 0.0225(11) Uani 1 1 d .
C32 C 0.1510(6) 0.1692(4) 0.5742(2) 0.0291(13) Uani 1 1 d .
H32 H 0.0742 0.145 0.6019 0.035 Uiso 1 1 calc R
C33 C 0.1108(7) 0.2024(4) 0.5104(2) 0.0374(15) Uani 1 1 d .
H33 H 0.0067 0.1992 0.4942 0.045 Uiso 1 1 calc R
C34 C 0.2226(7) 0.2401(4) 0.4702(3) 0.0380(15) Uani 1 1 d .
H34 H 0.1958 0.2646 0.4271 0.046 Uiso 1 1 calc R
C35 C 0.3734(7) 0.2419(4) 0.4933(3) 0.0396(15) Uani 1 1 d .
H35 H 0.4503 0.2675 0.4659 0.047 Uiso 1 1 calc R
C36 C 0.4125(7) 0.2062(4) 0.5566(3) 0.0324(13) Uani 1 1 d .
H36 H 0.5155 0.2059 0.5716 0.039 Uiso 1 1 calc R
C37 C 0.1777(6) 0.2492(3) 0.7256(2) 0.0193(10) Uani 1 1 d .
C38 C 0.1587(5) 0.3252(3) 0.7041(2) 0.0181(10) Uani 1 1 d .
C39 C 0.3574(5) 0.4924(3) 0.6611(2) 0.0203(11) Uani 1 1 d .
C40 C 0.4521(6) 0.5757(4) 0.7002(2) 0.0292(13) Uani 1 1 d .
H40 H 0.4119 0.6099 0.7312 0.035 Uiso 1 1 calc R
C41 C 0.6055(7) 0.6078(4) 0.6933(3) 0.0408(16) Uani 1 1 d .
H41 H 0.6709 0.6644 0.7198 0.049 Uiso 1 1 calc R
C42 C 0.6648(7) 0.5588(5) 0.6485(3) 0.0422(15) Uani 1 1 d .
H42 H 0.7708 0.5809 0.645 0.051 Uiso 1 1 calc R
C43 C 0.5697(7) 0.4773(4) 0.6085(3) 0.0386(14) Uani 1 1 d .
H43 H 0.6102 0.4446 0.5768 0.046 Uiso 1 1 calc R
C44 C 0.4159(6) 0.4433(4) 0.6146(3) 0.0315(13) Uani 1 1 d .
H44 H 0.3508 0.3872 0.5875 0.038 Uiso 1 1 calc R
C45 C 0.0990(6) 0.5067(4) 0.7314(2) 0.0207(11) Uani 1 1 d .
C46 C 0.0941(7) 0.6011(4) 0.7190(3) 0.0350(14) Uani 1 1 d .
H46 H 0.1304 0.6307 0.6796 0.042 Uiso 1 1 calc R
C47 C 0.0365(8) 0.6521(4) 0.7637(3) 0.0450(16) Uani 1 1 d .
H47 H 0.035 0.717 0.755 0.054 Uiso 1 1 calc R
C48 C -0.0188(8) 0.6105(5) 0.8206(3) 0.0483(17) Uani 1 1 d .
H48 H -0.0597 0.6457 0.8505 0.058 Uiso 1 1 calc R
C49 C -0.0139(8) 0.5164(5) 0.8335(3) 0.0537(18) Uani 1 1 d .
H49 H -0.0514 0.4868 0.8726 0.064 Uiso 1 1 calc R
C50 C 0.0459(7) 0.4652(4) 0.7892(3) 0.0386(15) Uani 1 1 d .
H50 H 0.0503 0.4011 0.7988 0.046 Uiso 1 1 calc R
P4 P 0.72673(19) 0.81801(11) 0.87114(7) 0.0373(4) Uani 1 1 d .
F41 F 0.7636(5) 0.7259(3) 0.9044(2) 0.0719(12) Uani 1 1 d .
F42 F 0.5737(4) 0.7493(3) 0.82590(17) 0.0572(11) Uani 1 1 d .
F43 F 0.6348(4) 0.8287(3) 0.93125(18) 0.0602(11) Uani 1 1 d .
F44 F 0.6930(5) 0.9113(3) 0.8373(2) 0.0694(12) Uani 1 1 d .
F45 F 0.8796(5) 0.8877(3) 0.91564(18) 0.0757(14) Uani 1 1 d .
F46 F 0.8193(5) 0.8068(3) 0.81015(18) 0.0633(12) Uani 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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
P3 Pd1 Cl1 89.67(4) . .
P3 Pd1 Cl2 92.42(4) . 2_566
Cl1 Pd1 Cl2 177.05(5) . 2_566
P3 Pd1 Cl2 175.96(5) . .
Cl1 Pd1 Cl2 91.41(4) . .
Cl2 Pd1 Cl2 86.36(4) 2_566 .
Pd1 Cl2 Pd1 93.64(4) 2_566 .
C37 Fe1 C1 91.0(2) . .
C37 Fe1 C2 124.4(2) . .
C1 Fe1 C2 39.3(2) . .
C37 Fe1 C5 92.3(2) . .
C1 Fe1 C5 39.01(18) . .
C2 Fe1 C5 65.17(19) . .
C37 Fe1 C4 126.1(2) . .
C1 Fe1 C4 64.96(19) . .
C2 Fe1 C4 64.41(18) . .
C5 Fe1 C4 38.63(19) . .
C37 Fe1 C3 154.9(2) . .
C1 Fe1 C3 65.0(2) . .
C2 Fe1 C3 38.36(18) . .
C5 Fe1 C3 64.60(19) . .
C4 Fe1 C3 38.17(17) . .
C37 Fe1 P1 88.28(14) . .
C1 Fe1 P1 155.88(14) . .
C2 Fe1 P1 147.27(15) . .
C5 Fe1 P1 116.92(14) . .
C4 Fe1 P1 96.36(13) . .
C3 Fe1 P1 110.38(14) . .
C37 Fe1 P2 81.64(14) . .
C1 Fe1 P2 117.22(14) . .
C2 Fe1 P2 98.94(14) . .
C5 Fe1 P2 155.73(15) . .
C4 Fe1 P2 152.06(14) . .
C3 Fe1 P2 115.05(14) . .
P1 Fe1 P2 86.54(5) . .
C31 P1 C25 103.1(2) . .
C31 P1 C12 105.9(2) . .
C25 P1 C12 104.4(2) . .
C31 P1 Fe1 116.41(18) . .
C25 P1 Fe1 119.57(17) . .
C12 P1 Fe1 106.12(17) . .
C19 P2 C11 106.8(2) . .
C19 P2 C13 101.5(2) . .
C11 P2 C13 101.6(2) . .
C19 P2 Fe1 117.26(18) . .
C11 P2 Fe1 104.11(16) . .
C13 P2 Fe1 123.60(17) . .
C38 P3 C45 107.4(2) . .
C38 P3 C39 104.2(2) . .
C45 P3 C39 110.1(2) . .
C38 P3 Pd1 116.92(15) . .
C45 P3 Pd1 107.10(16) . .
C39 P3 Pd1 110.95(14) . .
C5 C1 C2 108.2(5) . .
C5 C1 C6 124.8(5) . .
C2 C1 C6 126.8(5) . .
C5 C1 Fe1 71.9(3) . .
C2 C1 Fe1 71.5(3) . .
C6 C1 Fe1 126.1(4) . .
C3 C2 C1 108.0(4) . .
C3 C2 C7 124.7(5) . .
C1 C2 C7 126.3(5) . .
C3 C2 Fe1 72.3(3) . .
C1 C2 Fe1 69.1(3) . .
C7 C2 Fe1 133.4(4) . .
C2 C3 C4 108.0(4) . .
C2 C3 C8 126.0(4) . .
C4 C3 C8 124.7(4) . .
C2 C3 Fe1 69.3(3) . .
C4 C3 Fe1 70.8(3) . .
C8 C3 Fe1 135.6(4) . .
C3 C4 C5 108.1(4) . .
C3 C4 C9 125.7(5) . .
C5 C4 C9 125.4(5) . .
C3 C4 Fe1 71.0(3) . .
C5 C4 Fe1 69.5(3) . .
C9 C4 Fe1 132.8(3) . .
C1 C5 C4 107.7(4) . .
C1 C5 C10 126.4(5) . .
C4 C5 C10 125.6(5) . .
C1 C5 Fe1 69.1(3) . .
C4 C5 Fe1 71.9(3) . .
C10 C5 Fe1 129.5(3) . .
C1 C6 H6A 109.5 . .
C1 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C1 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C2 C7 H7A 109.5 . .
C2 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C2 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C3 C8 H8A 109.5 . .
C3 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C3 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C4 C9 H9A 109.5 . .
C4 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C4 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C5 C10 H10A 109.5 . .
C5 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C5 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C12 C11 P2 107.5(3) . .
C12 C11 H11A 110.2 . .
P2 C11 H11A 110.2 . .
C12 C11 H11B 110.2 . .
P2 C11 H11B 110.2 . .
H11A C11 H11B 108.5 . .
C11 C12 P1 110.2(4) . .
C11 C12 H12A 109.6 . .
P1 C12 H12A 109.6 . .
C11 C12 H12B 109.6 . .
P1 C12 H12B 109.6 . .
H12A C12 H12B 108.1 . .
C18 C13 C14 119.2(5) . .
C18 C13 P2 119.9(4) . .
C14 C13 P2 120.9(4) . .
C13 C14 C15 120.3(5) . .
C13 C14 H14 119.9 . .
C15 C14 H14 119.9 . .
C16 C15 C14 119.4(5) . .
C16 C15 H15 120.3 . .
C14 C15 H15 120.3 . .
C15 C16 C17 120.4(5) . .
C15 C16 H16 119.8 . .
C17 C16 H16 119.8 . .
C16 C17 C18 120.2(6) . .
C16 C17 H17 119.9 . .
C18 C17 H17 119.9 . .
C13 C18 C17 120.6(5) . .
C13 C18 H18 119.7 . .
C17 C18 H18 119.7 . .
C24 C19 C20 118.8(5) . .
C24 C19 P2 121.7(4) . .
C20 C19 P2 119.5(4) . .
C21 C20 C19 120.8(5) . .
C21 C20 H20 119.6 . .
C19 C20 H20 119.6 . .
C22 C21 C20 120.0(6) . .
C22 C21 H21 120 . .
C20 C21 H21 120 . .
C23 C22 C21 119.9(6) . .
C23 C22 H22 120 . .
C21 C22 H22 120 . .
C22 C23 C24 120.7(5) . .
C22 C23 H23 119.7 . .
C24 C23 H23 119.7 . .
C19 C24 C23 119.7(5) . .
C19 C24 H24 120.1 . .
C23 C24 H24 120.1 . .
C26 C25 C30 118.8(5) . .
C26 C25 P1 119.4(4) . .
C30 C25 P1 121.7(4) . .
C25 C26 C27 120.9(5) . .
C25 C26 H26 119.6 . .
C27 C26 H26 119.6 . .
C28 C27 C26 119.2(5) . .
C28 C27 H27 120.4 . .
C26 C27 H27 120.4 . .
C29 C28 C27 121.2(6) . .
C29 C28 H28 119.4 . .
C27 C28 H28 119.4 . .
C28 C29 C30 120.5(5) . .
C28 C29 H29 119.7 . .
C30 C29 H29 119.7 . .
C25 C30 C29 119.4(5) . .
C25 C30 H30 120.3 . .
C29 C30 H30 120.3 . .
C32 C31 C36 118.6(5) . .
C32 C31 P1 120.8(4) . .
C36 C31 P1 120.5(4) . .
C33 C32 C31 121.0(5) . .
C33 C32 H32 119.5 . .
C31 C32 H32 119.5 . .
C34 C33 C32 120.0(5) . .
C34 C33 H33 120 . .
C32 C33 H33 120 . .
C35 C34 C33 119.7(5) . .
C35 C34 H34 120.2 . .
C33 C34 H34 120.2 . .
C34 C35 C36 120.1(5) . .
C34 C35 H35 120 . .
C36 C35 H35 120 . .
C35 C36 C31 120.6(5) . .
C35 C36 H36 119.7 . .
C31 C36 H36 119.7 . .
C38 C37 Fe1 177.1(4) . .
C37 C38 P3 171.4(5) . .
C40 C39 C44 120.5(5) . .
C40 C39 P3 124.2(4) . .
C44 C39 P3 115.2(4) . .
C41 C40 C39 119.0(5) . .
C41 C40 H40 120.5 . .
C39 C40 H40 120.5 . .
C42 C41 C40 121.0(5) . .
C42 C41 H41 119.5 . .
C40 C41 H41 119.5 . .
C41 C42 C43 120.0(6) . .
C41 C42 H42 120 . .
C43 C42 H42 120 . .
C44 C43 C42 120.3(6) . .
C44 C43 H43 119.8 . .
C42 C43 H43 119.8 . .
C43 C44 C39 119.3(5) . .
C43 C44 H44 120.3 . .
C39 C44 H44 120.3 . .
C50 C45 C46 118.8(5) . .
C50 C45 P3 120.4(4) . .
C46 C45 P3 120.5(4) . .
C47 C46 C45 120.1(5) . .
C47 C46 H46 119.9 . .
C45 C46 H46 119.9 . .
C48 C47 C46 121.1(6) . .
C48 C47 H47 119.4 . .
C46 C47 H47 119.4 . .
C47 C48 C49 119.0(6) . .
C47 C48 H48 120.5 . .
C49 C48 H48 120.5 . .
C48 C49 C50 120.1(6) . .
C48 C49 H49 119.9 . .
C50 C49 H49 119.9 . .
C45 C50 C49 120.7(6) . .
C45 C50 H50 119.6 . .
C49 C50 H50 119.6 . .
F41 P4 F43 89.6(2) . .
F41 P4 F44 178.9(3) . .
F43 P4 F44 91.2(2) . .
F41 P4 F45 90.2(3) . .
F43 P4 F45 89.8(2) . .
F44 P4 F45 89.1(2) . .
F41 P4 F42 90.5(2) . .
F43 P4 F42 90.5(2) . .
F44 P4 F42 90.2(2) . .
F45 P4 F42 179.3(2) . .
F41 P4 F46 90.2(2) . .
F43 P4 F46 179.8(3) . .
F44 P4 F46 88.9(2) . .
F45 P4 F46 90.4(2) . .
F42 P4 F46 89.3(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 P3 2.2191(12) .
Pd1 Cl1 2.2798(13) .
Pd1 Cl2 2.3323(12) 2_566
Pd1 Cl2 2.4256(12) .
Cl2 Pd1 2.3322(12) 2_566
Fe1 C37 1.893(5) .
Fe1 C1 2.119(5) .
Fe1 C2 2.151(5) .
Fe1 C5 2.156(5) .
Fe1 C4 2.188(5) .
Fe1 C3 2.190(5) .
Fe1 P1 2.2883(15) .
Fe1 P2 2.3057(14) .
P1 C31 1.830(5) .
P1 C25 1.835(5) .
P1 C12 1.848(5) .
P2 C19 1.822(5) .
P2 C11 1.843(5) .
P2 C13 1.843(5) .
P3 C38 1.732(5) .
P3 C45 1.809(5) .
P3 C39 1.820(5) .
C1 C5 1.428(7) .
C1 C2 1.436(7) .
C1 C6 1.508(7) .
C2 C3 1.427(7) .
C2 C7 1.493(6) .
C3 C4 1.432(6) .
C3 C8 1.498(7) .
C4 C5 1.437(7) .
C4 C9 1.497(7) .
C5 C10 1.493(7) .
C6 H6A 0.98 .
C6 H6B 0.98 .
C6 H6C 0.98 .
C7 H7A 0.98 .
C7 H7B 0.98 .
C7 H7C 0.98 .
C8 H8A 0.98 .
C8 H8B 0.98 .
C8 H8C 0.98 .
C9 H9A 0.98 .
C9 H9B 0.98 .
C9 H9C 0.98 .
C10 H10A 0.98 .
C10 H10B 0.98 .
C10 H10C 0.98 .
C11 C12 1.516(7) .
C11 H11A 0.99 .
C11 H11B 0.99 .
C12 H12A 0.99 .
C12 H12B 0.99 .
C13 C18 1.382(7) .
C13 C14 1.390(7) .
C14 C15 1.405(7) .
C14 H14 0.95 .
C15 C16 1.373(9) .
C15 H15 0.95 .
C16 C17 1.383(8) .
C16 H16 0.95 .
C17 C18 1.383(8) .
C17 H17 0.95 .
C18 H18 0.95 .
C19 C24 1.388(7) .
C19 C20 1.391(7) .
C20 C21 1.391(8) .
C20 H20 0.95 .
C21 C22 1.374(8) .
C21 H21 0.95 .
C22 C23 1.372(9) .
C22 H22 0.95 .
C23 C24 1.402(8) .
C23 H23 0.95 .
C24 H24 0.95 .
C25 C26 1.392(7) .
C25 C30 1.399(7) .
C26 C27 1.395(7) .
C26 H26 0.95 .
C27 C28 1.373(8) .
C27 H27 0.95 .
C28 C29 1.359(8) .
C28 H28 0.95 .
C29 C30 1.401(8) .
C29 H29 0.95 .
C30 H30 0.95 .
C31 C32 1.389(7) .
C31 C36 1.394(7) .
C32 C33 1.387(7) .
C32 H32 0.95 .
C33 C34 1.387(8) .
C33 H33 0.95 .
C34 C35 1.386(8) .
C34 H34 0.95 .
C35 C36 1.393(7) .
C35 H35 0.95 .
C36 H36 0.95 .
C37 C38 1.223(6) .
C39 C40 1.394(7) .
C39 C44 1.397(7) .
C40 C41 1.385(8) .
C40 H40 0.95 .
C41 C42 1.376(8) .
C41 H41 0.95 .
C42 C43 1.386(8) .
C42 H42 0.95 .
C43 C44 1.385(8) .
C43 H43 0.95 .
C44 H44 0.95 .
C45 C50 1.385(7) .
C45 C46 1.387(7) .
C46 C47 1.386(8) .
C46 H46 0.95 .
C47 C48 1.377(9) .
C47 H47 0.95 .
C48 C49 1.385(9) .
C48 H48 0.95 .
C49 C50 1.392(8) .
C49 H49 0.95 .
C50 H50 0.95 .
P4 F41 1.581(4) .
P4 F43 1.582(4) .
P4 F44 1.589(4) .
P4 F45 1.594(4) .
P4 F42 1.595(4) .
P4 F46 1.602(4) .
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_4
Cl1 Pd1 Cl2 Pd1 178.07(6) . 2_566
Cl2 Pd1 Cl2 Pd1 0 2_566 2_566
C37 Fe1 P1 C31 -32.1(2) . .
C1 Fe1 P1 C31 56.6(4) . .
C2 Fe1 P1 C31 145.0(3) . .
C5 Fe1 P1 C31 59.7(2) . .
C4 Fe1 P1 C31 94.1(2) . .
C3 Fe1 P1 C31 130.8(2) . .
P2 Fe1 P1 C31 -113.78(18) . .
C37 Fe1 P1 C25 -157.0(2) . .
C1 Fe1 P1 C25 -68.4(4) . .
C2 Fe1 P1 C25 20.1(3) . .
C5 Fe1 P1 C25 -65.3(2) . .
C4 Fe1 P1 C25 -30.9(2) . .
C3 Fe1 P1 C25 5.8(2) . .
P2 Fe1 P1 C25 121.2(2) . .
C37 Fe1 P1 C12 85.5(2) . .
C1 Fe1 P1 C12 174.1(4) . .
C2 Fe1 P1 C12 -97.4(3) . .
C5 Fe1 P1 C12 177.2(2) . .
C4 Fe1 P1 C12 -148.3(2) . .
C3 Fe1 P1 C12 -111.7(2) . .
P2 Fe1 P1 C12 3.76(18) . .
C37 Fe1 P2 C19 50.2(2) . .
C1 Fe1 P2 C19 -36.6(2) . .
C2 Fe1 P2 C19 -73.5(2) . .
C5 Fe1 P2 C19 -26.8(4) . .
C4 Fe1 P2 C19 -124.0(3) . .
C3 Fe1 P2 C19 -110.1(2) . .
P1 Fe1 P2 C19 138.98(18) . .
C37 Fe1 P2 C11 -67.5(2) . .
C1 Fe1 P2 C11 -154.3(2) . .
C2 Fe1 P2 C11 168.8(2) . .
C5 Fe1 P2 C11 -144.5(4) . .
C4 Fe1 P2 C11 118.3(3) . .
C3 Fe1 P2 C11 132.2(2) . .
P1 Fe1 P2 C11 21.25(18) . .
C37 Fe1 P2 C13 177.9(2) . .
C1 Fe1 P2 C13 91.0(3) . .
C2 Fe1 P2 C13 54.2(3) . .
C5 Fe1 P2 C13 100.9(4) . .
C4 Fe1 P2 C13 3.7(4) . .
C3 Fe1 P2 C13 17.5(3) . .
P1 Fe1 P2 C13 -93.4(2) . .
Cl1 Pd1 P3 C38 33.6(2) . .
Cl2 Pd1 P3 C38 -148.5(2) 2_566 .
Cl1 Pd1 P3 C45 -86.93(18) . .
Cl2 Pd1 P3 C45 90.99(18) 2_566 .
Cl1 Pd1 P3 C39 152.85(18) . .
Cl2 Pd1 P3 C39 -29.23(18) 2_566 .
C37 Fe1 C1 C5 92.5(3) . .
C2 Fe1 C1 C5 -117.0(4) . .
C4 Fe1 C1 C5 -37.5(3) . .
C3 Fe1 C1 C5 -79.8(3) . .
P1 Fe1 C1 C5 4.4(5) . .
P2 Fe1 C1 C5 173.6(2) . .
C37 Fe1 C1 C2 -150.5(3) . .
C5 Fe1 C1 C2 117.0(4) . .
C4 Fe1 C1 C2 79.5(3) . .
C3 Fe1 C1 C2 37.2(3) . .
P1 Fe1 C1 C2 121.4(4) . .
P2 Fe1 C1 C2 -69.4(3) . .
C37 Fe1 C1 C6 -27.9(4) . .
C2 Fe1 C1 C6 122.6(6) . .
C5 Fe1 C1 C6 -120.4(6) . .
C4 Fe1 C1 C6 -157.9(5) . .
C3 Fe1 C1 C6 159.8(5) . .
P1 Fe1 C1 C6 -116.0(4) . .
P2 Fe1 C1 C6 53.2(5) . .
C5 C1 C2 C3 0.8(6) . .
C6 C1 C2 C3 176.1(5) . .
Fe1 C1 C2 C3 -62.2(3) . .
C5 C1 C2 C7 -167.8(5) . .
C6 C1 C2 C7 7.5(8) . .
Fe1 C1 C2 C7 129.2(5) . .
C5 C1 C2 Fe1 63.0(3) . .
C6 C1 C2 Fe1 -121.7(5) . .
C37 Fe1 C2 C3 154.6(3) . .
C1 Fe1 C2 C3 117.9(4) . .
C5 Fe1 C2 C3 79.8(3) . .
C4 Fe1 C2 C3 36.9(3) . .
P1 Fe1 C2 C3 -21.9(5) . .
P2 Fe1 C2 C3 -119.5(3) . .
C37 Fe1 C2 C1 36.6(4) . .
C5 Fe1 C2 C1 -38.1(3) . .
C4 Fe1 C2 C1 -81.0(3) . .
C3 Fe1 C2 C1 -117.9(4) . .
P1 Fe1 C2 C1 -139.8(3) . .
P2 Fe1 C2 C1 122.6(3) . .
C37 Fe1 C2 C7 -84.1(6) . .
C1 Fe1 C2 C7 -120.7(6) . .
C5 Fe1 C2 C7 -158.9(6) . .
C4 Fe1 C2 C7 158.3(6) . .
C3 Fe1 C2 C7 121.3(7) . .
P1 Fe1 C2 C7 99.5(5) . .
P2 Fe1 C2 C7 1.9(5) . .
C1 C2 C3 C4 -0.3(6) . .
C7 C2 C3 C4 168.5(5) . .
Fe1 C2 C3 C4 -60.6(3) . .
C1 C2 C3 C8 -167.8(5) . .
C7 C2 C3 C8 1.0(8) . .
Fe1 C2 C3 C8 132.0(5) . .
C1 C2 C3 Fe1 60.2(3) . .
C7 C2 C3 Fe1 -131.0(5) . .
C37 Fe1 C3 C2 -56.6(5) . .
C1 Fe1 C3 C2 -38.1(3) . .
C5 Fe1 C3 C2 -81.4(3) . .
C4 Fe1 C3 C2 -118.8(4) . .
P1 Fe1 C3 C2 167.6(3) . .
P2 Fe1 C3 C2 71.7(3) . .
C37 Fe1 C3 C4 62.2(5) . .
C1 Fe1 C3 C4 80.6(3) . .
C2 Fe1 C3 C4 118.8(4) . .
C5 Fe1 C3 C4 37.3(3) . .
P1 Fe1 C3 C4 -73.7(3) . .
P2 Fe1 C3 C4 -169.5(2) . .
C37 Fe1 C3 C8 -177.4(4) . .
C1 Fe1 C3 C8 -159.0(5) . .
C2 Fe1 C3 C8 -120.9(6) . .
C5 Fe1 C3 C8 157.7(5) . .
C4 Fe1 C3 C8 120.4(6) . .
P1 Fe1 C3 C8 46.7(5) . .
P2 Fe1 C3 C8 -49.2(5) . .
C2 C3 C4 C5 -0.2(5) . .
C8 C3 C4 C5 167.4(5) . .
Fe1 C3 C4 C5 -59.8(3) . .
C2 C3 C4 C9 -170.7(5) . .
C8 C3 C4 C9 -3.1(8) . .
Fe1 C3 C4 C9 129.7(5) . .
C2 C3 C4 Fe1 59.6(3) . .
C8 C3 C4 Fe1 -132.8(5) . .
C37 Fe1 C4 C3 -152.3(3) . .
C1 Fe1 C4 C3 -80.8(3) . .
C2 Fe1 C4 C3 -37.1(3) . .
C5 Fe1 C4 C3 -118.7(4) . .
P1 Fe1 C4 C3 115.2(3) . .
P2 Fe1 C4 C3 20.6(5) . .
C37 Fe1 C4 C5 -33.7(3) . .
C1 Fe1 C4 C5 37.9(3) . .
C2 Fe1 C4 C5 81.6(3) . .
C3 Fe1 C4 C5 118.7(4) . .
P1 Fe1 C4 C5 -126.2(3) . .
P2 Fe1 C4 C5 139.2(3) . .
C37 Fe1 C4 C9 86.1(5) . .
C1 Fe1 C4 C9 157.7(6) . .
C2 Fe1 C4 C9 -158.6(6) . .
C5 Fe1 C4 C9 119.8(6) . .
C3 Fe1 C4 C9 -121.5(6) . .
P1 Fe1 C4 C9 -6.4(5) . .
P2 Fe1 C4 C9 -101.0(5) . .
C2 C1 C5 C4 -0.9(5) . .
C6 C1 C5 C4 -176.3(5) . .
Fe1 C1 C5 C4 61.9(3) . .
C2 C1 C5 C10 172.9(5) . .
C6 C1 C5 C10 -2.5(8) . .
Fe1 C1 C5 C10 -124.3(5) . .
C2 C1 C5 Fe1 -62.8(3) . .
C6 C1 C5 Fe1 121.8(5) . .
C3 C4 C5 C1 0.7(5) . .
C9 C4 C5 C1 171.2(4) . .
Fe1 C4 C5 C1 -60.1(3) . .
C3 C4 C5 C10 -173.2(5) . .
C9 C4 C5 C10 -2.6(8) . .
Fe1 C4 C5 C10 126.0(5) . .
C3 C4 C5 Fe1 60.8(3) . .
C9 C4 C5 Fe1 -128.7(5) . .
C37 Fe1 C5 C1 -88.7(3) . .
C2 Fe1 C5 C1 38.4(3) . .
C4 Fe1 C5 C1 117.9(4) . .
C3 Fe1 C5 C1 81.0(3) . .
P1 Fe1 C5 C1 -178.0(2) . .
P2 Fe1 C5 C1 -14.0(5) . .
C37 Fe1 C5 C4 153.4(3) . .
C1 Fe1 C5 C4 -117.9(4) . .
C2 Fe1 C5 C4 -79.4(3) . .
C3 Fe1 C5 C4 -36.9(3) . .
P1 Fe1 C5 C4 64.1(3) . .
P2 Fe1 C5 C4 -131.9(3) . .
C37 Fe1 C5 C10 31.8(5) . .
C1 Fe1 C5 C10 120.5(6) . .
C2 Fe1 C5 C10 158.9(6) . .
C4 Fe1 C5 C10 -121.6(6) . .
C3 Fe1 C5 C10 -158.5(6) . .
P1 Fe1 C5 C10 -57.5(5) . .
P2 Fe1 C5 C10 106.5(5) . .
C19 P2 C11 C12 -173.2(3) . .
C13 P2 C11 C12 80.9(4) . .
Fe1 P2 C11 C12 -48.5(3) . .
P2 C11 C12 P1 54.7(4) . .
C31 P1 C12 C11 89.1(4) . .
C25 P1 C12 C11 -162.4(3) . .
Fe1 P1 C12 C11 -35.2(4) . .
C19 P2 C13 C18 -36.6(5) . .
C11 P2 C13 C18 73.5(5) . .
Fe1 P2 C13 C18 -170.7(4) . .
C19 P2 C13 C14 146.8(4) . .
C11 P2 C13 C14 -103.1(5) . .
Fe1 P2 C13 C14 12.7(5) . .
C18 C13 C14 C15 -0.6(8) . .
P2 C13 C14 C15 176.0(4) . .
C13 C14 C15 C16 1.1(8) . .
C14 C15 C16 C17 -0.7(9) . .
C15 C16 C17 C18 -0.1(10) . .
C14 C13 C18 C17 -0.2(9) . .
P2 C13 C18 C17 -176.8(5) . .
C16 C17 C18 C13 0.5(10) . .
C11 P2 C19 C24 9.5(5) . .
C13 P2 C19 C24 115.5(4) . .
Fe1 P2 C19 C24 -106.8(4) . .
C11 P2 C19 C20 -170.8(4) . .
C13 P2 C19 C20 -64.7(5) . .
Fe1 P2 C19 C20 73.0(5) . .
C24 C19 C20 C21 1.5(9) . .
P2 C19 C20 C21 -178.2(5) . .
C19 C20 C21 C22 -0.4(10) . .
C20 C21 C22 C23 -1.4(10) . .
C21 C22 C23 C24 2.1(10) . .
C20 C19 C24 C23 -0.8(8) . .
P2 C19 C24 C23 179.0(5) . .
C22 C23 C24 C19 -1.0(10) . .
C31 P1 C25 C26 168.4(4) . .
C12 P1 C25 C26 57.9(5) . .
Fe1 P1 C25 C26 -60.5(5) . .
C31 P1 C25 C30 -16.3(5) . .
C12 P1 C25 C30 -126.9(4) . .
Fe1 P1 C25 C30 114.8(4) . .
C30 C25 C26 C27 -2.1(8) . .
P1 C25 C26 C27 173.3(4) . .
C25 C26 C27 C28 0.1(9) . .
C26 C27 C28 C29 2.2(9) . .
C27 C28 C29 C30 -2.4(10) . .
C26 C25 C30 C29 1.9(8) . .
P1 C25 C30 C29 -173.4(4) . .
C28 C29 C30 C25 0.3(9) . .
C25 P1 C31 C32 103.6(4) . .
C12 P1 C31 C32 -147.0(4) . .
Fe1 P1 C31 C32 -29.3(5) . .
C25 P1 C31 C36 -73.8(5) . .
C12 P1 C31 C36 35.5(5) . .
Fe1 P1 C31 C36 153.2(4) . .
C36 C31 C32 C33 -0.5(8) . .
P1 C31 C32 C33 -178.0(4) . .
C31 C32 C33 C34 -1.5(8) . .
C32 C33 C34 C35 1.8(9) . .
C33 C34 C35 C36 -0.2(9) . .
C34 C35 C36 C31 -1.8(9) . .
C32 C31 C36 C35 2.1(8) . .
P1 C31 C36 C35 179.6(4) . .
C38 P3 C39 C40 -111.5(4) . .
C45 P3 C39 C40 3.5(5) . .
Pd1 P3 C39 C40 121.9(4) . .
C38 P3 C39 C44 64.8(4) . .
C45 P3 C39 C44 179.8(4) . .
Pd1 P3 C39 C44 -61.8(4) . .
C44 C39 C40 C41 -1.3(7) . .
P3 C39 C40 C41 174.8(4) . .
C39 C40 C41 C42 0.1(8) . .
C40 C41 C42 C43 1.4(9) . .
C41 C42 C43 C44 -1.6(9) . .
C42 C43 C44 C39 0.4(8) . .
C40 C39 C44 C43 1.0(7) . .
P3 C39 C44 C43 -175.4(4) . .
C38 P3 C45 C50 -8.3(5) . .
C39 P3 C45 C50 -121.1(4) . .
Pd1 P3 C45 C50 118.1(4) . .
C38 P3 C45 C46 177.2(4) . .
C39 P3 C45 C46 64.3(5) . .
Pd1 P3 C45 C46 -56.4(5) . .
C50 C45 C46 C47 -0.2(8) . .
P3 C45 C46 C47 174.4(5) . .
C45 C46 C47 C48 -0.9(9) . .
C46 C47 C48 C49 1.1(10) . .
C47 C48 C49 C50 -0.2(10) . .
C46 C45 C50 C49 1.1(9) . .
P3 C45 C50 C49 -173.5(5) . .
C48 C49 C50 C45 -0.9(10) . .
