#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/15/4021576.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_4021576
loop_
_publ_author_name
'Felix M. Geisler'
'Günter Helmchen'
_publ_section_title
;
 Chiral Phosphinooxazolines with a Pentamethylferrocene Backbone-
 Synthesis and Use as Ligands in Asymmetric Catalysis
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              2486
_journal_page_last               2492
_journal_paper_doi               10.1021/jo0526136
_journal_volume                  71
_journal_year                    2006
_chemical_formula_sum            'C38.5 H48 Cl3 F6 Fe N O P Pd Sb'
_chemical_formula_weight         1076.10
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.0
_cell_angle_beta                 111.143(1)
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   19.899(1)
_cell_length_b                   20.987(1)
_cell_length_c                   21.619(1)
_cell_measurement_reflns_used    9146
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.34
_cell_measurement_theta_min      2.39
_cell_volume                     8420.8(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0262
_diffrn_reflns_av_sigmaI/netI    0.0410
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            45021
_diffrn_reflns_theta_full        28.35
_diffrn_reflns_theta_max         28.35
_diffrn_reflns_theta_min         1.01
_exptl_absorpt_coefficient_mu    1.686
_exptl_absorpt_correction_T_max  0.8911
_exptl_absorpt_correction_T_min  0.6877
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.698
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             4296
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.077
_refine_diff_density_min         -0.460
_refine_diff_density_rms         0.083
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.021(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     983
_refine_ls_number_reflns         20874
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0319
_refine_ls_R_factor_gt           0.0271
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0274P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0625
_refine_ls_wR_factor_ref         0.0645
_reflns_number_gt                18942
_reflns_number_total             20874
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo0526136si20060103_032154.cif
_cod_original_sg_symbol_H-M      'C 2'
_cod_original_formula_sum        'C38.50 H48 Cl3 F6 Fe N O P Pd Sb'
_cod_database_code               4021576
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -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 0.258088(11) 0.928632(9) -0.081823(10) 0.01605(6) Uani 1 1 d .
Pd2 Pd 0.739824(11) 0.915595(9) 0.577690(10) 0.01605(6) Uani 1 1 d .
Fe1 Fe 0.19797(2) 1.060040(18) 0.086989(19) 0.01588(9) Uani 1 1 d .
Fe2 Fe 0.80371(2) 1.045615(18) 0.410340(19) 0.01611(9) Uani 1 1 d .
P1 P 0.30461(4) 1.01144(3) -0.01260(3) 0.01561(14) Uani 1 1 d .
P2 P 0.69450(4) 0.99876(3) 0.50845(3) 0.01582(14) Uani 1 1 d .
O1 O 0.07219(10) 0.94440(9) -0.02971(10) 0.0207(4) Uani 1 1 d .
O2 O 0.92488(10) 0.92748(9) 0.52359(10) 0.0206(4) Uani 1 1 d .
N1 N 0.16881(12) 0.91721(10) -0.05398(11) 0.0166(5) Uani 1 1 d .
N2 N 0.82738(12) 0.90124(10) 0.54739(11) 0.0163(5) Uani 1 1 d .
C1 C 0.13720(14) 0.95965(13) -0.03109(13) 0.0174(5) Uani 1 1 d .
C2 C 0.05344(15) 0.88323(13) -0.06370(15) 0.0235(6) Uani 1 1 d .
H2A H 0.0169 0.8888 -0.1088 0.028 Uiso 1 1 calc R
H2B H 0.0341 0.8536 -0.0385 0.028 Uiso 1 1 calc R
C3 C 0.12424(14) 0.85785(12) -0.06715(14) 0.0188(5) Uani 1 1 d .
H3 H 0.1157 0.8427 -0.1132 0.023 Uiso 1 1 calc R
C4 C 0.15969(15) 0.80398(13) -0.01746(14) 0.0219(6) Uani 1 1 d .
C5 C 0.11110(16) 0.74471(14) -0.03693(15) 0.0260(6) Uani 1 1 d .
H5A H 0.1316 0.7108 -0.0044 0.039 Uiso 1 1 calc R
H5B H 0.1079 0.7301 -0.0810 0.039 Uiso 1 1 calc R
H5C H 0.0629 0.7555 -0.0378 0.039 Uiso 1 1 calc R
C6 C 0.23279(16) 0.78636(14) -0.02096(17) 0.0297(7) Uani 1 1 d .
H6A H 0.2647 0.8235 -0.0091 0.045 Uiso 1 1 calc R
H6B H 0.2263 0.7727 -0.0661 0.045 Uiso 1 1 calc R
H6C H 0.2542 0.7516 0.0101 0.045 Uiso 1 1 calc R
C7 C 0.16988(18) 0.82370(14) 0.05264(15) 0.0304(7) Uani 1 1 d .
H7A H 0.1938 0.7893 0.0833 0.046 Uiso 1 1 calc R
H7B H 0.1228 0.8323 0.0557 0.046 Uiso 1 1 calc R
H7C H 0.1996 0.8623 0.0643 0.046 Uiso 1 1 calc R
C12 C 0.22938(17) 0.86886(16) -0.17356(15) 0.0276(7) Uani 1 1 d .
H12A H 0.2066 0.8271 -0.1726 0.033 Uiso 1 1 calc R
H12B H 0.2085 0.8914 -0.2165 0.033 Uiso 1 1 calc R
C13 C 0.30346(19) 0.87222(17) -0.14198(17) 0.0334(7) Uani 1 1 d .
H13 H 0.3317 0.8345 -0.1313 0.040 Uiso 1 1 calc R
C14 C 0.33651(17) 0.93341(15) -0.12573(16) 0.0271(7) Uani 1 1 d .
H14A H 0.3269 0.9637 -0.1630 0.033 Uiso 1 1 calc R
H14B H 0.3873 0.9338 -0.0949 0.033 Uiso 1 1 calc R
C21 C 0.33037(15) 1.07569(13) -0.05604(14) 0.0185(5) Uani 1 1 d .
C22 C 0.27643(16) 1.11390(14) -0.10006(14) 0.0226(6) Uani 1 1 d .
H22 H 0.2275 1.1070 -0.1054 0.027 Uiso 1 1 calc R
C23 C 0.29402(17) 1.16159(14) -0.13588(15) 0.0261(6) Uani 1 1 d .
H23 H 0.2571 1.1876 -0.1651 0.031 Uiso 1 1 calc R
C24 C 0.36506(18) 1.17165(14) -0.12952(16) 0.0279(7) Uani 1 1 d .
H24 H 0.3769 1.2048 -0.1537 0.033 Uiso 1 1 calc R
C25 C 0.41913(17) 1.13262(14) -0.08713(15) 0.0245(6) Uani 1 1 d .
H25 H 0.4679 1.1385 -0.0831 0.029 Uiso 1 1 calc R
C26 C 0.40115(16) 1.08516(14) -0.05084(15) 0.0220(6) Uani 1 1 d .
H26 H 0.4380 1.0588 -0.0220 0.026 Uiso 1 1 calc R
C31 C 0.38379(14) 0.99575(13) 0.05991(13) 0.0182(5) Uani 1 1 d .
C32 C 0.40587(15) 0.93245(14) 0.07438(14) 0.0227(6) Uani 1 1 d .
H32 H 0.3793 0.8990 0.0466 0.027 Uiso 1 1 calc R
C33 C 0.46699(16) 0.91850(15) 0.12957(15) 0.0270(6) Uani 1 1 d .
H33 H 0.4819 0.8755 0.1397 0.032 Uiso 1 1 calc R
C34 C 0.50597(16) 0.96731(15) 0.16960(15) 0.0256(6) Uani 1 1 d .
H34 H 0.5474 0.9577 0.2075 0.031 Uiso 1 1 calc R
C35 C 0.48487(16) 1.03019(15) 0.15466(15) 0.0259(6) Uani 1 1 d .
H35 H 0.5123 1.0636 0.1818 0.031 Uiso 1 1 calc R
C36 C 0.42392(15) 1.04424(14) 0.10021(14) 0.0227(6) Uani 1 1 d .
H36 H 0.4094 1.0873 0.0903 0.027 Uiso 1 1 calc R
C41 C 0.23494(14) 1.04817(12) 0.00942(13) 0.0163(5) Uani 1 1 d .
C42 C 0.23174(15) 1.11424(13) 0.02537(13) 0.0185(5) Uani 1 1 d .
H42 H 0.2714 1.1428 0.0393 0.022 Uiso 1 1 calc R
C43 C 0.15938(15) 1.12980(13) 0.01694(14) 0.0207(6) Uani 1 1 d .
H43 H 0.1425 1.1707 0.0234 0.025 Uiso 1 1 calc R
C44 C 0.11663(15) 1.07423(13) -0.00265(13) 0.0190(5) Uani 1 1 d .
H44 H 0.0665 1.0712 -0.0108 0.023 Uiso 1 1 calc R
C45 C 0.16213(14) 1.02359(12) -0.00793(13) 0.0161(5) Uani 1 1 d .
C51 C 0.27004(16) 1.07235(14) 0.18221(14) 0.0215(6) Uani 1 1 d .
C52 C 0.20811(16) 1.11112(14) 0.17027(14) 0.0230(6) Uani 1 1 d .
C53 C 0.14676(16) 1.07083(15) 0.15387(14) 0.0246(6) Uani 1 1 d .
C54 C 0.17068(16) 1.00673(14) 0.15498(14) 0.0232(6) Uani 1 1 d .
C55 C 0.24698(15) 1.00720(13) 0.17212(13) 0.0194(5) Uani 1 1 d .
C56 C 0.34586(17) 1.09519(17) 0.20664(16) 0.0319(7) Uani 1 1 d .
H56A H 0.3482 1.1367 0.1867 0.048 Uiso 1 1 calc R
H56B H 0.3760 1.0645 0.1943 0.048 Uiso 1 1 calc R
H56C H 0.3634 1.0994 0.2550 0.048 Uiso 1 1 calc R
C57 C 0.2079(2) 1.18275(15) 0.17558(17) 0.0377(8) Uani 1 1 d .
H57A H 0.1621 1.1995 0.1449 0.056 Uiso 1 1 calc R
H57B H 0.2476 1.2004 0.1643 0.056 Uiso 1 1 calc R
H57C H 0.2140 1.1949 0.2210 0.056 Uiso 1 1 calc R
C58 C 0.07106(18) 1.09192(19) 0.13970(17) 0.0401(9) Uani 1 1 d .
H58A H 0.0644 1.1014 0.1815 0.060 Uiso 1 1 calc R
H58B H 0.0378 1.0579 0.1163 0.060 Uiso 1 1 calc R
H58C H 0.0612 1.1303 0.1120 0.060 Uiso 1 1 calc R
C59 C 0.12345(19) 0.94940(16) 0.14343(16) 0.0342(8) Uani 1 1 d .
H59A H 0.0977 0.9497 0.1745 0.051 Uiso 1 1 calc R
H59B H 0.1530 0.9108 0.1504 0.051 Uiso 1 1 calc R
H59C H 0.0885 0.9500 0.0978 0.051 Uiso 1 1 calc R
C60 C 0.29557(17) 0.95034(14) 0.18241(15) 0.0280(7) Uani 1 1 d .
H60A H 0.3379 0.9617 0.1717 0.042 Uiso 1 1 calc R
H60B H 0.2695 0.9155 0.1535 0.042 Uiso 1 1 calc R
H60C H 0.3111 0.9366 0.2288 0.042 Uiso 1 1 calc R
C61 C 0.86035(14) 0.94382(13) 0.52596(12) 0.0160(5) Uani 1 1 d .
C62 C 0.93869(15) 0.86254(13) 0.54851(16) 0.0263(6) Uani 1 1 d .
H62A H 0.9805 0.8612 0.5908 0.032 Uiso 1 1 calc R
H62B H 0.9487 0.8345 0.5160 0.032 Uiso 1 1 calc R
C63 C 0.86974(14) 0.84145(13) 0.55902(14) 0.0191(5) Uani 1 1 d .
H63 H 0.8823 0.8282 0.6063 0.023 Uiso 1 1 calc R
C64 C 0.82970(16) 0.78646(13) 0.51360(15) 0.0226(6) Uani 1 1 d .
C65 C 0.87897(16) 0.72782(13) 0.53065(15) 0.0250(6) Uani 1 1 d .
H65A H 0.8889 0.7155 0.5768 0.038 Uiso 1 1 calc R
H65B H 0.9244 0.7380 0.5248 0.038 Uiso 1 1 calc R
H65C H 0.8552 0.6925 0.5013 0.038 Uiso 1 1 calc R
C66 C 0.76078(16) 0.77029(14) 0.52526(17) 0.0311(7) Uani 1 1 d .
H66A H 0.7300 0.8082 0.5172 0.047 Uiso 1 1 calc R
H66B H 0.7727 0.7561 0.5712 0.047 Uiso 1 1 calc R
H66C H 0.7352 0.7362 0.4949 0.047 Uiso 1 1 calc R
C67 C 0.8106(2) 0.80339(15) 0.44050(16) 0.0379(8) Uani 1 1 d .
H67A H 0.7825 0.7687 0.4128 0.057 Uiso 1 1 calc R
H67B H 0.8550 0.8097 0.4314 0.057 Uiso 1 1 calc R
H67C H 0.7821 0.8427 0.4304 0.057 Uiso 1 1 calc R
C72 C 0.66352(17) 0.92250(15) 0.62359(15) 0.0260(6) Uani 1 1 d .
H72A H 0.6739 0.9542 0.6598 0.031 Uiso 1 1 calc R
H72B H 0.6123 0.9221 0.5937 0.031 Uiso 1 1 calc R
C73 C 0.69656(19) 0.86266(16) 0.64129(17) 0.0333(7) Uani 1 1 d .
H73 H 0.6682 0.8250 0.6321 0.040 Uiso 1 1 calc R
C74 C 0.77066(17) 0.85884(16) 0.67221(15) 0.0286(7) Uani 1 1 d .
H74A H 0.7929 0.8166 0.6723 0.034 Uiso 1 1 calc R
H74B H 0.7924 0.8827 0.7142 0.034 Uiso 1 1 calc R
C81 C 0.61452(14) 0.98705(13) 0.43567(14) 0.0185(5) Uani 1 1 d .
C82 C 0.58036(15) 1.03817(13) 0.39518(14) 0.0215(6) Uani 1 1 d .
H82 H 0.5998 1.0799 0.4052 0.026 Uiso 1 1 calc R
C83 C 0.51812(16) 1.02820(15) 0.34036(15) 0.0253(6) Uani 1 1 d .
H83 H 0.4949 1.0630 0.3129 0.030 Uiso 1 1 calc R
C84 C 0.48985(16) 0.96712(16) 0.32569(15) 0.0271(6) Uani 1 1 d .
H84 H 0.4478 0.9600 0.2876 0.033 Uiso 1 1 calc R
C85 C 0.52295(16) 0.91668(15) 0.36657(15) 0.0262(6) Uani 1 1 d .
H85 H 0.5030 0.8751 0.3569 0.031 Uiso 1 1 calc R
C86 C 0.58503(15) 0.92640(13) 0.42160(14) 0.0214(6) Uani 1 1 d .
H86 H 0.6073 0.8916 0.4496 0.026 Uiso 1 1 calc R
C91 C 0.67175(15) 1.06249(12) 0.55447(14) 0.0187(5) Uani 1 1 d .
C92 C 0.72743(16) 1.09736(14) 0.60012(14) 0.0234(6) Uani 1 1 d .
H92 H 0.7759 1.0893 0.6046 0.028 Uiso 1 1 calc R
C93 C 0.71239(18) 1.14374(14) 0.63891(15) 0.0280(7) Uani 1 1 d .
H93 H 0.7505 1.1676 0.6696 0.034 Uiso 1 1 calc R
C94 C 0.64177(19) 1.15539(14) 0.63299(16) 0.0293(7) Uani 1 1 d .
H94 H 0.6314 1.1873 0.6594 0.035 Uiso 1 1 calc R
C95 C 0.58635(18) 1.12039(14) 0.58843(16) 0.0275(7) Uani 1 1 d .
H95 H 0.5379 1.1284 0.5843 0.033 Uiso 1 1 calc R
C96 C 0.60124(16) 1.07383(14) 0.54990(15) 0.0224(6) Uani 1 1 d .
H96 H 0.5630 1.0494 0.5201 0.027 Uiso 1 1 calc R
C101 C 0.76519(14) 1.03440(13) 0.48682(13) 0.0170(5) Uani 1 1 d .
C102 C 0.83770(14) 1.00854(13) 0.50506(13) 0.0170(5) Uani 1 1 d .
C103 C 0.88404(15) 1.05878(12) 0.50043(13) 0.0190(6) Uani 1 1 d .
H103 H 0.9342 1.0551 0.5089 0.023 Uiso 1 1 calc R
C104 C 0.84252(15) 1.11502(13) 0.48100(14) 0.0200(6) Uani 1 1 d .
H104 H 0.8602 1.1558 0.4752 0.024 Uiso 1 1 calc R
C105 C 0.77006(15) 1.10019(13) 0.47174(14) 0.0198(5) Uani 1 1 d .
H105 H 0.7309 1.1293 0.4577 0.024 Uiso 1 1 calc R
C111 C 0.80117(16) 1.09543(14) 0.32797(14) 0.0240(6) Uani 1 1 d .
C112 C 0.85878(16) 1.05045(15) 0.34633(14) 0.0246(6) Uani 1 1 d .
C113 C 0.82850(15) 0.98839(14) 0.34339(14) 0.0229(6) Uani 1 1 d .
C114 C 0.75181(15) 0.99489(14) 0.32436(13) 0.0211(6) Uani 1 1 d .
C115 C 0.73518(15) 1.06121(14) 0.31412(14) 0.0223(6) Uani 1 1 d .
C116 C 0.8088(2) 1.16648(15) 0.32287(17) 0.0341(8) Uani 1 1 d .
H11A H 0.8539 1.1806 0.3571 0.051 Uiso 1 1 calc R
H11B H 0.7680 1.1879 0.3292 0.051 Uiso 1 1 calc R
H11C H 0.8096 1.1771 0.2790 0.051 Uiso 1 1 calc R
C117 C 0.93695(16) 1.06469(18) 0.36303(16) 0.0347(8) Uani 1 1 d .
H11D H 0.9659 1.0297 0.3894 0.052 Uiso 1 1 calc R
H11E H 0.9493 1.1044 0.3886 0.052 Uiso 1 1 calc R
H11F H 0.9469 1.0694 0.3220 0.052 Uiso 1 1 calc R
C118 C 0.86955(18) 0.92737(15) 0.35434(16) 0.0305(7) Uani 1 1 d .
H11G H 0.8895 0.9217 0.3193 0.046 Uiso 1 1 calc R
H11H H 0.8373 0.8918 0.3533 0.046 Uiso 1 1 calc R
H11I H 0.9089 0.9286 0.3976 0.046 Uiso 1 1 calc R
C119 C 0.69837(16) 0.94193(14) 0.31336(14) 0.0248(6) Uani 1 1 d .
H11J H 0.6834 0.9272 0.2673 0.037 Uiso 1 1 calc R
H11K H 0.6562 0.9573 0.3222 0.037 Uiso 1 1 calc R
H11L H 0.7205 0.9066 0.3434 0.037 Uiso 1 1 calc R
C120 C 0.66194(17) 1.09008(16) 0.28782(16) 0.0310(7) Uani 1 1 d .
H12A H 0.6476 1.0968 0.2399 0.047 Uiso 1 1 calc R
H12B H 0.6625 1.1311 0.3097 0.047 Uiso 1 1 calc R
H12C H 0.6275 1.0614 0.2965 0.047 Uiso 1 1 calc R
Sb1 Sb 0.5000 0.781542(12) 1.0000 0.01999(7) Uani 1 2 d S
Sb2 Sb 0.000138(9) 0.746485(12) 0.749002(8) 0.01847(4) Uani 1 1 d .
Sb3 Sb 0.5000 0.770359(12) 0.5000 0.02131(7) Uani 1 2 d S
F1 F 0.40772(9) 0.78159(9) 1.00509(10) 0.0311(4) Uani 1 1 d .
F2 F 0.5000 0.69245(11) 1.0000 0.0313(6) Uani 1 2 d S
F3 F 0.45836(10) 0.78081(9) 0.90715(9) 0.0337(4) Uani 1 1 d .
F4 F 0.5000 0.87043(11) 1.0000 0.0303(6) Uani 1 2 d S
F11 F -0.00740(10) 0.68206(9) 0.80533(10) 0.0354(5) Uani 1 1 d .
F12 F -0.09968(9) 0.74432(9) 0.70170(9) 0.0299(4) Uani 1 1 d .
F13 F 0.01317(10) 0.68587(9) 0.69138(10) 0.0348(4) Uani 1 1 d .
F14 F 0.00925(11) 0.81165(9) 0.69288(10) 0.0390(5) Uani 1 1 d .
F15 F 0.09969(9) 0.75123(9) 0.79595(9) 0.0299(4) Uani 1 1 d .
F16 F -0.01540(11) 0.80847(9) 0.80521(10) 0.0383(5) Uani 1 1 d .
F21 F 0.5000 0.85930(11) 0.5000 0.0318(6) Uani 1 2 d S
F22 F 0.54136(11) 0.77080(10) 0.59277(9) 0.0371(4) Uani 1 1 d .
F23 F 0.40798(9) 0.77092(9) 0.50496(10) 0.0337(4) Uani 1 1 d .
F24 F 0.5000 0.68143(12) 0.5000 0.0370(7) Uani 1 2 d S
Cl1 Cl 0.90167(6) 1.00756(4) 0.69728(5) 0.0473(2) Uani 1 1 d .
Cl2 Cl 1.04663(6) 0.97354(5) 0.78586(5) 0.0508(2) Uani 1 1 d .
Cl3 Cl 0.90828(7) 1.17084(6) 0.65478(7) 0.0713(4) Uani 1 1 d .
Cl4 Cl 0.90145(7) 1.28272(6) 0.73029(7) 0.0728(4) Uani 1 1 d .
Cl5 Cl 1.08173(6) 1.15083(6) 0.81251(6) 0.0589(3) Uani 1 1 d .
Cl6 Cl 1.12215(7) 1.28343(7) 0.81104(9) 0.0947(5) Uani 1 1 d .
C200 C 0.9678(2) 0.95189(17) 0.71761(19) 0.0419(9) Uani 1 1 d .
H20A H 0.9813 0.9438 0.6785 0.050 Uiso 1 1 calc R
H20B H 0.9486 0.9116 0.7285 0.050 Uiso 1 1 calc R
C201 C 0.9278(3) 1.2518(2) 0.6676(2) 0.0533(11) Uani 1 1 d .
H20C H 0.9027 1.2752 0.6258 0.064 Uiso 1 1 calc R
H20D H 0.9802 1.2583 0.6795 0.064 Uiso 1 1 calc R
C202 C 1.0864(3) 1.2231(3) 0.8506(2) 0.0738(17) Uani 1 1 d .
H20E H 1.1177 1.2195 0.8979 0.089 Uiso 1 1 calc R
H20F H 1.0377 1.2359 0.8484 0.089 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'
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'
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'
Sb Sb -0.5866 1.5461 '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
N1 Pd1 C14 170.03(10) . .
N1 Pd1 C13 133.55(11) . .
C14 Pd1 C13 38.90(12) . .
N1 Pd1 C12 102.68(10) . .
C14 Pd1 C12 67.70(11) . .
C13 Pd1 C12 36.49(12) . .
N1 Pd1 P1 94.90(6) . .
C14 Pd1 P1 93.94(8) . .
C13 Pd1 P1 130.76(9) . .
C12 Pd1 P1 158.27(9) . .
N2 Pd2 C72 169.98(10) . .
N2 Pd2 C73 133.57(11) . .
C72 Pd2 C73 38.38(12) . .
N2 Pd2 C74 102.88(10) . .
C72 Pd2 C74 67.29(12) . .
C73 Pd2 C74 36.42(12) . .
N2 Pd2 P2 94.71(6) . .
C72 Pd2 P2 94.34(8) . .
C73 Pd2 P2 131.17(9) . .
C74 Pd2 P2 157.11(9) . .
C42 Fe1 C52 109.38(11) . .
C42 Fe1 C43 40.74(11) . .
C52 Fe1 C43 99.69(11) . .
C42 Fe1 C44 68.63(11) . .
C52 Fe1 C44 123.40(11) . .
C43 Fe1 C44 40.43(11) . .
C42 Fe1 C51 107.96(11) . .
C52 Fe1 C51 40.55(11) . .
C43 Fe1 C51 126.21(12) . .
C44 Fe1 C51 162.88(11) . .
C42 Fe1 C53 139.43(12) . .
C52 Fe1 C53 40.53(12) . .
C43 Fe1 C53 106.99(11) . .
C44 Fe1 C53 103.05(11) . .
C51 Fe1 C53 68.08(12) . .
C42 Fe1 C45 68.54(10) . .
C52 Fe1 C45 164.00(11) . .
C43 Fe1 C45 68.04(11) . .
C44 Fe1 C45 40.63(10) . .
C51 Fe1 C45 155.34(11) . .
C53 Fe1 C45 131.18(11) . .
C42 Fe1 C55 136.00(11) . .
C52 Fe1 C55 68.39(11) . .
C43 Fe1 C55 166.72(11) . .
C44 Fe1 C55 151.38(11) . .
C51 Fe1 C55 40.68(11) . .
C53 Fe1 C55 68.16(11) . .
C45 Fe1 C55 124.75(11) . .
C42 Fe1 C54 175.83(12) . .
C52 Fe1 C54 68.00(12) . .
C43 Fe1 C54 141.98(11) . .
C44 Fe1 C54 115.47(11) . .
C51 Fe1 C54 67.91(11) . .
C53 Fe1 C54 40.35(12) . .
C45 Fe1 C54 114.91(11) . .
C55 Fe1 C54 40.36(11) . .
C42 Fe1 C41 40.82(10) . .
C52 Fe1 C41 145.54(11) . .
C43 Fe1 C41 68.63(11) . .
C44 Fe1 C41 69.06(11) . .
C51 Fe1 C41 120.09(11) . .
C53 Fe1 C41 171.83(11) . .
C45 Fe1 C41 41.16(10) . .
C55 Fe1 C41 117.65(11) . .
C54 Fe1 C41 140.30(11) . .
C105 Fe2 C103 68.38(11) . .
C105 Fe2 C111 111.58(12) . .
C103 Fe2 C111 121.64(11) . .
C105 Fe2 C104 40.54(11) . .
C103 Fe2 C104 40.44(11) . .
C111 Fe2 C104 99.76(11) . .
C105 Fe2 C112 142.22(12) . .
C103 Fe2 C112 102.20(11) . .
C111 Fe2 C112 40.68(12) . .
C104 Fe2 C112 108.53(12) . .
C105 Fe2 C115 108.33(12) . .
C103 Fe2 C115 161.00(11) . .
C111 Fe2 C115 40.72(11) . .
C104 Fe2 C115 125.00(12) . .
C112 Fe2 C115 68.40(11) . .
C105 Fe2 C102 68.48(11) . .
C103 Fe2 C102 40.68(10) . .
C111 Fe2 C102 162.01(11) . .
C104 Fe2 C102 68.15(11) . .
C112 Fe2 C102 128.58(11) . .
C115 Fe2 C102 157.27(11) . .
C105 Fe2 C114 134.39(11) . .
C103 Fe2 C114 153.12(11) . .
C111 Fe2 C114 68.51(11) . .
C104 Fe2 C114 165.53(11) . .
C112 Fe2 C114 68.56(11) . .
C115 Fe2 C114 40.52(11) . .
C102 Fe2 C114 125.24(11) . .
C105 Fe2 C101 40.70(10) . .
C103 Fe2 C101 69.03(11) . .
C111 Fe2 C101 148.33(12) . .
C104 Fe2 C101 68.55(11) . .
C112 Fe2 C101 169.79(11) . .
C115 Fe2 C101 121.54(11) . .
C102 Fe2 C101 41.25(10) . .
C114 Fe2 C101 116.78(11) . .
C105 Fe2 C113 175.00(11) . .
C103 Fe2 C113 116.26(11) . .
C111 Fe2 C113 68.06(12) . .
C104 Fe2 C113 144.26(11) . .
C112 Fe2 C113 40.45(11) . .
C115 Fe2 C113 67.96(12) . .
C102 Fe2 C113 113.52(11) . .
C114 Fe2 C113 40.62(11) . .
C101 Fe2 C113 137.85(11) . .
C41 P1 C31 111.31(12) . .
C41 P1 C21 101.95(12) . .
C31 P1 C21 105.24(13) . .
C41 P1 Pd1 109.55(9) . .
C31 P1 Pd1 117.04(9) . .
C21 P1 Pd1 110.62(9) . .
C101 P2 C81 110.87(12) . .
C101 P2 C91 102.05(12) . .
C81 P2 C91 105.16(13) . .
C101 P2 Pd2 109.28(9) . .
C81 P2 Pd2 119.13(9) . .
C91 P2 Pd2 108.89(9) . .
C1 O1 C2 105.8(2) . .
C61 O2 C62 106.2(2) . .
C1 N1 C3 108.1(2) . .
C1 N1 Pd1 128.07(18) . .
C3 N1 Pd1 123.32(16) . .
C61 N2 C63 108.4(2) . .
C61 N2 Pd2 126.99(18) . .
C63 N2 Pd2 123.77(16) . .
N1 C1 O1 116.8(2) . .
N1 C1 C45 128.1(2) . .
O1 C1 C45 115.1(2) . .
O1 C2 C3 104.9(2) . .
O1 C2 H2A 110.8 . .
C3 C2 H2A 110.8 . .
O1 C2 H2B 110.8 . .
C3 C2 H2B 110.8 . .
H2A C2 H2B 108.8 . .
N1 C3 C2 101.2(2) . .
N1 C3 C4 112.8(2) . .
C2 C3 C4 114.7(2) . .
N1 C3 H3 109.3 . .
C2 C3 H3 109.3 . .
C4 C3 H3 109.3 . .
C7 C4 C6 109.3(3) . .
C7 C4 C5 109.8(2) . .
C6 C4 C5 107.8(2) . .
C7 C4 C3 111.1(2) . .
C6 C4 C3 110.3(2) . .
C5 C4 C3 108.5(2) . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C4 C6 H6A 109.5 . .
C4 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C4 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C4 C7 H7A 109.5 . .
C4 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C4 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C13 C12 Pd1 69.44(18) . .
C13 C12 H12A 116.7 . .
Pd1 C12 H12A 116.7 . .
C13 C12 H12B 116.7 . .
Pd1 C12 H12B 116.7 . .
H12A C12 H12B 113.7 . .
C12 C13 C14 118.7(3) . .
C12 C13 Pd1 74.07(18) . .
C14 C13 Pd1 67.54(17) . .
C12 C13 H13 120.6 . .
C14 C13 H13 120.6 . .
Pd1 C13 H13 130.1 . .
C13 C14 Pd1 73.56(18) . .
C13 C14 H14A 116.2 . .
Pd1 C14 H14A 116.2 . .
C13 C14 H14B 116.2 . .
Pd1 C14 H14B 116.2 . .
H14A C14 H14B 113.2 . .
C26 C21 C22 118.7(3) . .
C26 C21 P1 122.1(2) . .
C22 C21 P1 119.0(2) . .
C23 C22 C21 120.4(3) . .
C23 C22 H22 119.8 . .
C21 C22 H22 119.8 . .
C22 C23 C24 120.6(3) . .
C22 C23 H23 119.7 . .
C24 C23 H23 119.7 . .
C23 C24 C25 119.4(3) . .
C23 C24 H24 120.3 . .
C25 C24 H24 120.3 . .
C26 C25 C24 119.7(3) . .
C26 C25 H25 120.2 . .
C24 C25 H25 120.2 . .
C21 C26 C25 121.1(3) . .
C21 C26 H26 119.4 . .
C25 C26 H26 119.4 . .
C36 C31 C32 119.5(3) . .
C36 C31 P1 122.3(2) . .
C32 C31 P1 118.2(2) . .
C33 C32 C31 119.9(3) . .
C33 C32 H32 120.1 . .
C31 C32 H32 120.1 . .
C34 C33 C32 119.9(3) . .
C34 C33 H33 120.0 . .
C32 C33 H33 120.0 . .
C33 C34 C35 120.3(3) . .
C33 C34 H34 119.9 . .
C35 C34 H34 119.9 . .
C36 C35 C34 120.0(3) . .
C36 C35 H35 120.0 . .
C34 C35 H35 120.0 . .
C35 C36 C31 120.4(3) . .
C35 C36 H36 119.8 . .
C31 C36 H36 119.8 . .
C42 C41 C45 106.1(2) . .
C42 C41 P1 125.7(2) . .
C45 C41 P1 124.9(2) . .
C42 C41 Fe1 68.32(15) . .
C45 C41 Fe1 68.92(14) . .
P1 C41 Fe1 143.06(15) . .
C43 C42 C41 108.8(2) . .
C43 C42 Fe1 69.84(15) . .
C41 C42 Fe1 70.86(15) . .
C43 C42 H42 125.6 . .
C41 C42 H42 125.6 . .
Fe1 C42 H42 125.3 . .
C44 C43 C42 108.7(2) . .
C44 C43 Fe1 69.91(15) . .
C42 C43 Fe1 69.43(15) . .
C44 C43 H43 125.7 . .
C42 C43 H43 125.7 . .
Fe1 C43 H43 126.6 . .
C43 C44 C45 107.9(2) . .
C43 C44 Fe1 69.66(16) . .
C45 C44 Fe1 70.13(15) . .
C43 C44 H44 126.1 . .
C45 C44 H44 126.1 . .
Fe1 C44 H44 125.7 . .
C44 C45 C41 108.5(2) . .
C44 C45 C1 124.5(2) . .
C41 C45 C1 126.9(2) . .
C44 C45 Fe1 69.25(15) . .
C41 C45 Fe1 69.92(15) . .
C1 C45 Fe1 129.58(19) . .
C52 C51 C55 108.0(3) . .
C52 C51 C56 125.6(3) . .
C55 C51 C56 126.1(3) . .
C52 C51 Fe1 69.15(16) . .
C55 C51 Fe1 70.04(16) . .
C56 C51 Fe1 130.4(2) . .
C53 C52 C51 108.4(3) . .
C53 C52 C57 126.0(3) . .
C51 C52 C57 125.6(3) . .
C53 C52 Fe1 70.41(16) . .
C51 C52 Fe1 70.29(15) . .
C57 C52 Fe1 126.0(2) . .
C52 C53 C54 107.8(3) . .
C52 C53 C58 126.0(3) . .
C54 C53 C58 126.2(3) . .
C52 C53 Fe1 69.05(16) . .
C54 C53 Fe1 70.19(16) . .
C58 C53 Fe1 127.4(2) . .
C53 C54 C55 108.4(3) . .
C53 C54 C59 124.9(3) . .
C55 C54 C59 126.6(3) . .
C53 C54 Fe1 69.46(16) . .
C55 C54 Fe1 69.73(16) . .
C59 C54 Fe1 128.9(2) . .
C54 C55 C51 107.4(2) . .
C54 C55 C60 126.9(3) . .
C51 C55 C60 125.6(3) . .
C54 C55 Fe1 69.91(16) . .
C51 C55 Fe1 69.28(16) . .
C60 C55 Fe1 129.1(2) . .
C51 C56 H56A 109.5 . .
C51 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C51 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
C52 C57 H57A 109.5 . .
C52 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
C52 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
C53 C58 H58A 109.5 . .
C53 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C53 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
C54 C59 H59A 109.5 . .
C54 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
C54 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
C55 C60 H60A 109.5 . .
C55 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
C55 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
N2 C61 O2 116.9(2) . .
N2 C61 C102 128.3(2) . .
O2 C61 C102 114.8(2) . .
O2 C62 C63 105.4(2) . .
O2 C62 H62A 110.7 . .
C63 C62 H62A 110.7 . .
O2 C62 H62B 110.7 . .
C63 C62 H62B 110.7 . .
H62A C62 H62B 108.8 . .
N2 C63 C62 102.4(2) . .
N2 C63 C64 113.3(2) . .
C62 C63 C64 114.0(2) . .
N2 C63 H63 109.0 . .
C62 C63 H63 109.0 . .
C64 C63 H63 109.0 . .
C66 C64 C67 108.7(3) . .
C66 C64 C65 108.5(2) . .
C67 C64 C65 109.5(2) . .
C66 C64 C63 110.6(2) . .
C67 C64 C63 111.3(2) . .
C65 C64 C63 108.0(2) . .
C64 C65 H65A 109.5 . .
C64 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
C64 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
C64 C66 H66A 109.5 . .
C64 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
C64 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
C64 C67 H67A 109.5 . .
C64 C67 H67B 109.5 . .
H67A C67 H67B 109.5 . .
C64 C67 H67C 109.5 . .
H67A C67 H67C 109.5 . .
H67B C67 H67C 109.5 . .
C73 C72 Pd2 73.71(18) . .
C73 C72 H72A 116.2 . .
Pd2 C72 H72A 116.2 . .
C73 C72 H72B 116.2 . .
Pd2 C72 H72B 116.2 . .
H72A C72 H72B 113.1 . .
C74 C73 C72 119.7(3) . .
C74 C73 Pd2 74.87(18) . .
C72 C73 Pd2 67.91(17) . .
C74 C73 H73 120.1 . .
C72 C73 H73 120.1 . .
Pd2 C73 H73 129.4 . .
C73 C74 Pd2 68.71(18) . .
C73 C74 H74A 116.8 . .
Pd2 C74 H74A 116.8 . .
C73 C74 H74B 116.8 . .
Pd2 C74 H74B 116.8 . .
H74A C74 H74B 113.8 . .
C86 C81 C82 119.7(3) . .
C86 C81 P2 119.0(2) . .
C82 C81 P2 121.2(2) . .
C83 C82 C81 120.2(3) . .
C83 C82 H82 119.9 . .
C81 C82 H82 119.9 . .
C82 C83 C84 119.8(3) . .
C82 C83 H83 120.1 . .
C84 C83 H83 120.1 . .
C85 C84 C83 120.0(3) . .
C85 C84 H84 120.0 . .
C83 C84 H84 120.0 . .
C84 C85 C86 120.5(3) . .
C84 C85 H85 119.8 . .
C86 C85 H85 119.8 . .
C85 C86 C81 119.9(3) . .
C85 C86 H86 120.1 . .
C81 C86 H86 120.1 . .
C96 C91 C92 118.9(3) . .
C96 C91 P2 122.0(2) . .
C92 C91 P2 118.8(2) . .
C93 C92 C91 120.4(3) . .
C93 C92 H92 119.8 . .
C91 C92 H92 119.8 . .
C92 C93 C94 120.1(3) . .
C92 C93 H93 120.0 . .
C94 C93 H93 120.0 . .
C95 C94 C93 119.8(3) . .
C95 C94 H94 120.1 . .
C93 C94 H94 120.1 . .
C96 C95 C94 120.2(3) . .
C96 C95 H95 119.9 . .
C94 C95 H95 119.9 . .
C95 C96 C91 120.5(3) . .
C95 C96 H96 119.7 . .
C91 C96 H96 119.7 . .
C105 C101 C102 106.2(2) . .
C105 C101 P2 125.8(2) . .
C102 C101 P2 124.5(2) . .
C105 C101 Fe2 68.49(15) . .
C102 C101 Fe2 69.08(14) . .
P2 C101 Fe2 143.56(15) . .
C103 C102 C61 125.3(2) . .
C103 C102 C101 107.9(2) . .
C61 C102 C101 126.8(2) . .
C103 C102 Fe2 68.95(15) . .
C61 C102 Fe2 128.02(19) . .
C101 C102 Fe2 69.67(15) . .
C104 C103 C102 108.3(2) . .
C104 C103 Fe2 69.98(16) . .
C102 C103 Fe2 70.37(15) . .
C104 C103 H103 125.8 . .
C102 C103 H103 125.8 . .
Fe2 C103 H103 125.4 . .
C103 C104 C105 108.3(2) . .
C103 C104 Fe2 69.58(16) . .
C105 C104 Fe2 69.38(16) . .
C103 C104 H104 125.8 . .
C105 C104 H104 125.8 . .
Fe2 C104 H104 126.8 . .
C104 C105 C101 109.2(2) . .
C104 C105 Fe2 70.08(16) . .
C101 C105 Fe2 70.81(15) . .
C104 C105 H105 125.4 . .
C101 C105 H105 125.4 . .
Fe2 C105 H105 125.3 . .
C112 C111 C115 108.1(3) . .
C112 C111 C116 125.6(3) . .
C115 C111 C116 126.2(3) . .
C112 C111 Fe2 69.83(16) . .
C115 C111 Fe2 70.06(16) . .
C116 C111 Fe2 126.6(2) . .
C113 C112 C111 107.9(3) . .
C113 C112 C117 125.4(3) . .
C111 C112 C117 126.6(3) . .
C113 C112 Fe2 70.47(16) . .
C111 C112 Fe2 69.49(16) . .
C117 C112 Fe2 127.5(2) . .
C112 C113 C114 108.3(3) . .
C112 C113 C118 125.3(3) . .
C114 C113 C118 126.3(3) . .
C112 C113 Fe2 69.08(17) . .
C114 C113 Fe2 69.46(16) . .
C118 C113 Fe2 129.9(2) . .
C115 C114 C113 107.4(3) . .
C115 C114 C119 125.9(3) . .
C113 C114 C119 126.5(3) . .
C115 C114 Fe2 69.53(16) . .
C113 C114 Fe2 69.92(16) . .
C119 C114 Fe2 128.4(2) . .
C114 C115 C111 108.2(3) . .
C114 C115 C120 126.5(3) . .
C111 C115 C120 125.0(3) . .
C114 C115 Fe2 69.94(16) . .
C111 C115 Fe2 69.22(16) . .
C120 C115 Fe2 130.6(2) . .
C111 C116 H11A 109.5 . .
C111 C116 H11B 109.5 . .
H11A C116 H11B 109.5 . .
C111 C116 H11C 109.5 . .
H11A C116 H11C 109.5 . .
H11B C116 H11C 109.5 . .
C112 C117 H11D 109.5 . .
C112 C117 H11E 109.5 . .
H11D C117 H11E 109.5 . .
C112 C117 H11F 109.5 . .
H11D C117 H11F 109.5 . .
H11E C117 H11F 109.5 . .
C113 C118 H11G 109.5 . .
C113 C118 H11H 109.5 . .
H11G C118 H11H 109.5 . .
C113 C118 H11I 109.5 . .
H11G C118 H11I 109.5 . .
H11H C118 H11I 109.5 . .
C114 C119 H11J 109.5 . .
C114 C119 H11K 109.5 . .
H11J C119 H11K 109.5 . .
C114 C119 H11L 109.5 . .
H11J C119 H11L 109.5 . .
H11K C119 H11L 109.5 . .
C115 C120 H12A 109.5 . .
C115 C120 H12B 109.5 . .
H12A C120 H12B 109.5 . .
C115 C120 H12C 109.5 . .
H12A C120 H12C 109.5 . .
H12B C120 H12C 109.5 . .
F4 Sb1 F2 180.000(1) . .
F4 Sb1 F3 90.47(6) . .
F2 Sb1 F3 89.53(6) . .
F4 Sb1 F3 90.47(6) . 2_657
F2 Sb1 F3 89.53(6) . 2_657
F3 Sb1 F3 179.06(12) . 2_657
F4 Sb1 F1 89.97(6) . 2_657
F2 Sb1 F1 90.03(6) . 2_657
F3 Sb1 F1 90.06(8) . 2_657
F3 Sb1 F1 89.94(8) 2_657 2_657
F4 Sb1 F1 89.97(6) . .
F2 Sb1 F1 90.03(6) . .
F3 Sb1 F1 89.94(8) . .
F3 Sb1 F1 90.06(8) 2_657 .
F1 Sb1 F1 179.94(11) 2_657 .
F11 Sb2 F13 90.29(11) . .
F11 Sb2 F15 90.18(8) . .
F13 Sb2 F15 91.35(8) . .
F11 Sb2 F12 91.13(9) . .
F13 Sb2 F12 89.67(8) . .
F15 Sb2 F12 178.33(10) . .
F11 Sb2 F14 179.13(10) . .
F13 Sb2 F14 89.77(9) . .
F15 Sb2 F14 88.95(8) . .
F12 Sb2 F14 89.74(9) . .
F11 Sb2 F16 90.51(9) . .
F13 Sb2 F16 178.36(9) . .
F15 Sb2 F16 90.07(9) . .
F12 Sb2 F16 88.89(8) . .
F14 Sb2 F16 89.45(11) . .
F21 Sb3 F24 180.000(1) . .
F21 Sb3 F23 89.64(6) . .
F24 Sb3 F23 90.36(6) . .
F21 Sb3 F23 89.64(6) . 2_656
F24 Sb3 F23 90.36(6) . 2_656
F23 Sb3 F23 179.28(12) . 2_656
F21 Sb3 F22 89.72(6) . 2_656
F24 Sb3 F22 90.28(6) . 2_656
F23 Sb3 F22 90.02(9) . 2_656
F23 Sb3 F22 89.98(9) 2_656 2_656
F21 Sb3 F22 89.71(6) . .
F24 Sb3 F22 90.29(6) . .
F23 Sb3 F22 89.98(9) . .
F23 Sb3 F22 90.02(9) 2_656 .
F22 Sb3 F22 179.43(13) 2_656 .
Cl1 C200 Cl2 114.10(19) . .
Cl1 C200 H20A 108.7 . .
Cl2 C200 H20A 108.7 . .
Cl1 C200 H20B 108.7 . .
Cl2 C200 H20B 108.7 . .
H20A C200 H20B 107.6 . .
Cl3 C201 Cl4 111.9(2) . .
Cl3 C201 H20C 109.2 . .
Cl4 C201 H20C 109.2 . .
Cl3 C201 H20D 109.2 . .
Cl4 C201 H20D 109.2 . .
H20C C201 H20D 107.9 . .
Cl5 C202 Cl6 110.8(2) . .
Cl5 C202 H20E 109.5 . .
Cl6 C202 H20E 109.5 . .
Cl5 C202 H20F 109.5 . .
Cl6 C202 H20F 109.5 . .
H20E C202 H20F 108.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 N1 2.085(2) .
Pd1 C14 2.101(3) .
Pd1 C13 2.181(3) .
Pd1 C12 2.240(3) .
Pd1 P1 2.2621(7) .
Pd2 N2 2.092(2) .
Pd2 C72 2.097(3) .
Pd2 C73 2.173(3) .
Pd2 C74 2.251(3) .
Pd2 P2 2.2642(7) .
Fe1 C42 2.041(3) .
Fe1 C52 2.042(3) .
Fe1 C43 2.046(3) .
Fe1 C44 2.050(3) .
Fe1 C51 2.057(3) .
Fe1 C53 2.060(3) .
Fe1 C45 2.061(3) .
Fe1 C55 2.067(3) .
Fe1 C54 2.070(3) .
Fe1 C41 2.075(3) .
Fe2 C105 2.040(3) .
Fe2 C103 2.044(3) .
Fe2 C111 2.050(3) .
Fe2 C104 2.050(3) .
Fe2 C112 2.054(3) .
Fe2 C115 2.061(3) .
Fe2 C102 2.063(3) .
Fe2 C114 2.066(3) .
Fe2 C101 2.071(3) .
Fe2 C113 2.073(3) .
P1 C41 1.794(3) .
P1 C31 1.807(3) .
P1 C21 1.820(3) .
P2 C101 1.798(3) .
P2 C81 1.806(3) .
P2 C91 1.819(3) .
O1 C1 1.343(3) .
O1 C2 1.459(3) .
O2 C61 1.348(3) .
O2 C62 1.455(3) .
N1 C1 1.288(3) .
N1 C3 1.496(3) .
N2 C61 1.290(3) .
N2 C63 1.482(3) .
C1 C45 1.455(4) .
C2 C3 1.533(4) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.544(4) .
C3 H3 1.0000 .
C4 C7 1.513(4) .
C4 C6 1.529(4) .
C4 C5 1.538(4) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C12 C13 1.385(5) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 C14 1.428(4) .
C13 H13 0.9500 .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C21 C26 1.386(4) .
C21 C22 1.401(4) .
C22 C23 1.386(4) .
C22 H22 0.9500 .
C23 C24 1.386(4) .
C23 H23 0.9500 .
C24 C25 1.399(4) .
C24 H24 0.9500 .
C25 C26 1.392(4) .
C25 H25 0.9500 .
C26 H26 0.9500 .
C31 C36 1.389(4) .
C31 C32 1.399(4) .
C32 C33 1.393(4) .
C32 H32 0.9500 .
C33 C34 1.384(4) .
C33 H33 0.9500 .
C34 C35 1.387(4) .
C34 H34 0.9500 .
C35 C36 1.383(4) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C41 C42 1.436(4) .
C41 C45 1.454(4) .
C42 C43 1.423(4) .
C42 H42 0.9500 .
C43 C44 1.415(4) .
C43 H43 0.9500 .
C44 C45 1.427(4) .
C44 H44 0.9500 .
C51 C52 1.421(4) .
C51 C55 1.434(4) .
C51 C56 1.487(4) .
C52 C53 1.421(4) .
C52 C57 1.508(4) .
C53 C54 1.424(4) .
C53 C58 1.492(4) .
C54 C55 1.427(4) .
C54 C59 1.491(4) .
C55 C60 1.501(4) .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 H59C 0.9800 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C61 C102 1.451(4) .
C62 C63 1.534(4) .
C62 H62A 0.9900 .
C62 H62B 0.9900 .
C63 C64 1.538(4) .
C63 H63 1.0000 .
C64 C66 1.520(4) .
C64 C67 1.528(4) .
C64 C65 1.533(4) .
C65 H65A 0.9800 .
C65 H65B 0.9800 .
C65 H65C 0.9800 .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C66 H66C 0.9800 .
C67 H67A 0.9800 .
C67 H67B 0.9800 .
C67 H67C 0.9800 .
C72 C73 1.405(4) .
C72 H72A 0.9900 .
C72 H72B 0.9900 .
C73 C74 1.384(5) .
C73 H73 0.9500 .
C74 H74A 0.9900 .
C74 H74B 0.9900 .
C81 C86 1.389(4) .
C81 C82 1.396(4) .
C82 C83 1.387(4) .
C82 H82 0.9500 .
C83 C84 1.390(4) .
C83 H83 0.9500 .
C84 C85 1.384(4) .
C84 H84 0.9500 .
C85 C86 1.387(4) .
C85 H85 0.9500 .
C86 H86 0.9500 .
C91 C96 1.391(4) .
C91 C92 1.396(4) .
C92 C93 1.386(4) .
C92 H92 0.9500 .
C93 C94 1.386(5) .
C93 H93 0.9500 .
C94 C95 1.385(5) .
C94 H94 0.9500 .
C95 C96 1.384(4) .
C95 H95 0.9500 .
C96 H96 0.9500 .
C101 C105 1.430(4) .
C101 C102 1.457(4) .
C102 C103 1.428(4) .
C103 C104 1.415(4) .
C103 H103 0.9500 .
C104 C105 1.417(4) .
C104 H104 0.9500 .
C105 H105 0.9500 .
C111 C112 1.427(4) .
C111 C115 1.430(4) .
C111 C116 1.507(4) .
C112 C113 1.427(4) .
C112 C117 1.495(4) .
C113 C114 1.437(4) .
C113 C118 1.491(4) .
C114 C115 1.429(4) .
C114 C119 1.497(4) .
C115 C120 1.489(4) .
C116 H11A 0.9800 .
C116 H11B 0.9800 .
C116 H11C 0.9800 .
C117 H11D 0.9800 .
C117 H11E 0.9800 .
C117 H11F 0.9800 .
C118 H11G 0.9800 .
C118 H11H 0.9800 .
C118 H11I 0.9800 .
C119 H11J 0.9800 .
C119 H11K 0.9800 .
C119 H11L 0.9800 .
C120 H12A 0.9800 .
C120 H12B 0.9800 .
C120 H12C 0.9800 .
Sb1 F4 1.866(2) .
Sb1 F2 1.870(2) .
Sb1 F3 1.8751(18) .
Sb1 F3 1.8752(18) 2_657
Sb1 F1 1.8787(17) 2_657
Sb1 F1 1.8787(17) .
Sb2 F11 1.8615(18) .
Sb2 F13 1.8629(18) .
Sb2 F15 1.8746(17) .
Sb2 F12 1.8782(17) .
Sb2 F14 1.8800(18) .
Sb2 F16 1.8803(18) .
Sb3 F21 1.867(2) .
Sb3 F24 1.866(3) .
Sb3 F23 1.8725(17) .
Sb3 F23 1.8726(17) 2_656
Sb3 F22 1.8732(18) 2_656
Sb3 F22 1.8733(18) .
Cl1 C200 1.695(4) .
Cl2 C200 1.782(4) .
Cl3 C201 1.742(4) .
Cl4 C201 1.746(4) .
Cl5 C202 1.713(5) .
Cl6 C202 1.810(5) .
C200 H20A 0.9900 .
C200 H20B 0.9900 .
C201 H20C 0.9900 .
C201 H20D 0.9900 .
C202 H20E 0.9900 .
C202 H20F 0.9900 .
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
N1 Pd1 P1 C41 -21.07(11)
C14 Pd1 P1 C41 154.31(13)
C13 Pd1 P1 C41 168.26(16)
C12 Pd1 P1 C41 123.0(2)
N1 Pd1 P1 C31 106.83(11)
C14 Pd1 P1 C31 -77.79(14)
C13 Pd1 P1 C31 -63.85(16)
C12 Pd1 P1 C31 -109.1(3)
N1 Pd1 P1 C21 -132.68(11)
C14 Pd1 P1 C21 42.70(13)
C13 Pd1 P1 C21 56.64(16)
C12 Pd1 P1 C21 11.4(3)
N2 Pd2 P2 C101 -22.88(11)
C72 Pd2 P2 C101 152.84(13)
C73 Pd2 P2 C101 164.89(16)
C74 Pd2 P2 C101 117.5(2)
N2 Pd2 P2 C81 105.95(12)
C72 Pd2 P2 C81 -78.34(14)
C73 Pd2 P2 C81 -66.29(17)
C74 Pd2 P2 C81 -113.7(2)
N2 Pd2 P2 C91 -133.58(11)
C72 Pd2 P2 C91 42.14(13)
C73 Pd2 P2 C91 54.19(16)
C74 Pd2 P2 C91 6.8(2)
C14 Pd1 N1 C1 -125.2(6)
C13 Pd1 N1 C1 -162.6(2)
C12 Pd1 N1 C1 -140.0(2)
P1 Pd1 N1 C1 27.1(2)
C14 Pd1 N1 C3 45.6(7)
C13 Pd1 N1 C3 8.2(3)
C12 Pd1 N1 C3 30.9(2)
P1 Pd1 N1 C3 -162.02(19)
C72 Pd2 N2 C61 -124.5(6)
C73 Pd2 N2 C61 -157.9(2)
C74 Pd2 N2 C61 -135.1(2)
P2 Pd2 N2 C61 30.2(2)
C72 Pd2 N2 C63 43.8(7)
C73 Pd2 N2 C63 10.4(3)
C74 Pd2 N2 C63 33.2(2)
P2 Pd2 N2 C63 -161.55(19)
C3 N1 C1 O1 -5.5(3)
Pd1 N1 C1 O1 166.48(17)
C3 N1 C1 C45 176.5(3)
Pd1 N1 C1 C45 -11.6(4)
C2 O1 C1 N1 -6.6(3)
C2 O1 C1 C45 171.7(2)
C1 O1 C2 C3 15.1(3)
C1 N1 C3 C2 14.2(3)
Pd1 N1 C3 C2 -158.25(18)
C1 N1 C3 C4 -108.8(3)
Pd1 N1 C3 C4 78.7(3)
O1 C2 C3 N1 -17.4(3)
O1 C2 C3 C4 104.3(3)
N1 C3 C4 C7 61.3(3)
C2 C3 C4 C7 -53.8(3)
N1 C3 C4 C6 -60.0(3)
C2 C3 C4 C6 -175.1(2)
N1 C3 C4 C5 -177.9(2)
C2 C3 C4 C5 67.0(3)
N1 Pd1 C12 C13 -152.0(2)
C14 Pd1 C12 C13 30.7(2)
P1 Pd1 C12 C13 64.8(3)
Pd1 C12 C13 C14 -52.4(3)
N1 Pd1 C13 C12 39.1(3)
C14 Pd1 C13 C12 -131.2(3)
P1 Pd1 C13 C12 -153.75(16)
N1 Pd1 C13 C14 170.36(17)
C12 Pd1 C13 C14 131.2(3)
P1 Pd1 C13 C14 -22.5(3)
C12 C13 C14 Pd1 55.6(3)
N1 Pd1 C14 C13 -44.5(7)
C12 Pd1 C14 C13 -28.9(2)
P1 Pd1 C14 C13 163.10(19)
C41 P1 C21 C26 143.5(2)
C31 P1 C21 C26 27.3(3)
Pd1 P1 C21 C26 -100.0(2)
C41 P1 C21 C22 -41.4(2)
C31 P1 C21 C22 -157.6(2)
Pd1 P1 C21 C22 75.1(2)
C26 C21 C22 C23 -2.2(4)
P1 C21 C22 C23 -177.4(2)
C21 C22 C23 C24 1.0(4)
C22 C23 C24 C25 0.8(5)
C23 C24 C25 C26 -1.4(4)
C22 C21 C26 C25 1.6(4)
P1 C21 C26 C25 176.7(2)
C24 C25 C26 C21 0.2(4)
C41 P1 C31 C36 -63.5(3)
C21 P1 C31 C36 46.1(3)
Pd1 P1 C31 C36 169.4(2)
C41 P1 C31 C32 118.2(2)
C21 P1 C31 C32 -132.2(2)
Pd1 P1 C31 C32 -8.9(2)
C36 C31 C32 C33 1.1(4)
P1 C31 C32 C33 179.5(2)
C31 C32 C33 C34 -0.5(4)
C32 C33 C34 C35 -0.6(5)
C33 C34 C35 C36 1.1(5)
C34 C35 C36 C31 -0.5(5)
C32 C31 C36 C35 -0.7(4)
P1 C31 C36 C35 -178.9(2)
C31 P1 C41 C42 79.0(3)
C21 P1 C41 C42 -32.8(3)
Pd1 P1 C41 C42 -150.0(2)
C31 P1 C41 C45 -124.0(2)
C21 P1 C41 C45 124.2(2)
Pd1 P1 C41 C45 7.0(3)
C31 P1 C41 Fe1 -22.5(3)
C21 P1 C41 Fe1 -134.3(2)
Pd1 P1 C41 Fe1 108.5(2)
C52 Fe1 C41 C42 -37.8(3)
C43 Fe1 C41 C42 37.65(16)
C44 Fe1 C41 C42 81.14(17)
C51 Fe1 C41 C42 -82.78(18)
C53 Fe1 C41 C42 96.5(8)
C45 Fe1 C41 C42 118.3(2)
C55 Fe1 C41 C42 -129.48(17)
C54 Fe1 C41 C42 -173.79(18)
C42 Fe1 C41 C45 -118.3(2)
C52 Fe1 C41 C45 -156.12(19)
C43 Fe1 C41 C45 -80.65(16)
C44 Fe1 C41 C45 -37.15(15)
C51 Fe1 C41 C45 158.92(15)
C53 Fe1 C41 C45 -21.8(8)
C55 Fe1 C41 C45 112.23(16)
C54 Fe1 C41 C45 67.9(2)
C42 Fe1 C41 P1 121.1(3)
C52 Fe1 C41 P1 83.3(3)
C43 Fe1 C41 P1 158.8(3)
C44 Fe1 C41 P1 -157.7(3)
C51 Fe1 C41 P1 38.4(3)
C53 Fe1 C41 P1 -142.3(7)
C45 Fe1 C41 P1 -120.6(3)
C55 Fe1 C41 P1 -8.3(3)
C54 Fe1 C41 P1 -52.6(3)
C45 C41 C42 C43 -1.0(3)
P1 C41 C42 C43 159.5(2)
Fe1 C41 C42 C43 -59.79(19)
C45 C41 C42 Fe1 58.80(17)
P1 C41 C42 Fe1 -140.7(2)
C52 Fe1 C42 C43 -82.24(18)
C44 Fe1 C42 C43 37.04(16)
C51 Fe1 C42 C43 -125.13(17)
C53 Fe1 C42 C43 -48.1(2)
C45 Fe1 C42 C43 80.83(17)
C55 Fe1 C42 C43 -160.84(17)
C54 Fe1 C42 C43 -132.6(15)
C41 Fe1 C42 C43 119.3(2)
C52 Fe1 C42 C41 158.42(16)
C43 Fe1 C42 C41 -119.3(2)
C44 Fe1 C42 C41 -82.30(17)
C51 Fe1 C42 C41 115.53(17)
C53 Fe1 C42 C41 -167.47(17)
C45 Fe1 C42 C41 -38.51(15)
C55 Fe1 C42 C41 79.8(2)
C54 Fe1 C42 C41 108.0(16)
C41 C42 C43 C44 1.4(3)
Fe1 C42 C43 C44 -59.05(19)
C41 C42 C43 Fe1 60.43(19)
C42 Fe1 C43 C44 120.1(2)
C52 Fe1 C43 C44 -131.36(17)
C51 Fe1 C43 C44 -165.23(16)
C53 Fe1 C43 C44 -90.31(18)
C45 Fe1 C43 C44 37.95(15)
C55 Fe1 C43 C44 -156.8(4)
C54 Fe1 C43 C44 -64.9(2)
C41 Fe1 C43 C44 82.39(17)
C52 Fe1 C43 C42 108.52(17)
C44 Fe1 C43 C42 -120.1(2)
C51 Fe1 C43 C42 74.65(19)
C53 Fe1 C43 C42 149.58(17)
C45 Fe1 C43 C42 -82.17(17)
C55 Fe1 C43 C42 83.1(5)
C54 Fe1 C43 C42 175.02(18)
C41 Fe1 C43 C42 -37.73(16)
C42 C43 C44 C45 -1.2(3)
Fe1 C43 C44 C45 -59.95(18)
C42 C43 C44 Fe1 58.75(19)
C42 Fe1 C44 C43 -37.31(16)
C52 Fe1 C44 C43 62.4(2)
C51 Fe1 C44 C43 44.3(4)
C53 Fe1 C44 C43 100.98(17)
C45 Fe1 C44 C43 -118.9(2)
C55 Fe1 C44 C43 169.1(2)
C54 Fe1 C44 C43 141.86(17)
C41 Fe1 C44 C43 -81.23(17)
C42 Fe1 C44 C45 81.54(16)
C52 Fe1 C44 C45 -178.74(16)
C43 Fe1 C44 C45 118.9(2)
C51 Fe1 C44 C45 163.2(3)
C53 Fe1 C44 C45 -140.16(16)
C55 Fe1 C44 C45 -72.0(3)
C54 Fe1 C44 C45 -99.29(17)
C41 Fe1 C44 C45 37.62(15)
C43 C44 C45 C41 0.6(3)
Fe1 C44 C45 C41 -59.08(18)
C43 C44 C45 C1 -175.8(2)
Fe1 C44 C45 C1 124.5(3)
C43 C44 C45 Fe1 59.66(19)
C42 C41 C45 C44 0.3(3)
P1 C41 C45 C44 -160.5(2)
Fe1 C41 C45 C44 58.67(18)
C42 C41 C45 C1 176.6(3)
P1 C41 C45 C1 15.8(4)
Fe1 C41 C45 C1 -125.0(3)
C42 C41 C45 Fe1 -58.41(18)
P1 C41 C45 Fe1 140.9(2)
N1 C1 C45 C44 159.7(3)
O1 C1 C45 C44 -18.4(4)
N1 C1 C45 C41 -16.1(5)
O1 C1 C45 C41 165.8(2)
N1 C1 C45 Fe1 -109.7(3)
O1 C1 C45 Fe1 72.2(3)
C42 Fe1 C45 C44 -81.77(17)
C52 Fe1 C45 C44 3.8(5)
C43 Fe1 C45 C44 -37.77(16)
C51 Fe1 C45 C44 -168.2(2)
C53 Fe1 C45 C44 56.0(2)
C55 Fe1 C45 C44 146.32(16)
C54 Fe1 C45 C44 100.77(17)
C41 Fe1 C45 C44 -120.0(2)
C42 Fe1 C45 C41 38.20(15)
C52 Fe1 C45 C41 123.8(4)
C43 Fe1 C45 C41 82.20(16)
C44 Fe1 C45 C41 120.0(2)
C51 Fe1 C45 C41 -48.2(3)
C53 Fe1 C45 C41 175.98(16)
C55 Fe1 C45 C41 -93.71(17)
C54 Fe1 C45 C41 -139.26(15)
C42 Fe1 C45 C1 160.0(3)
C52 Fe1 C45 C1 -114.4(4)
C43 Fe1 C45 C1 -156.0(3)
C44 Fe1 C45 C1 -118.2(3)
C51 Fe1 C45 C1 73.6(4)
C53 Fe1 C45 C1 -62.2(3)
C55 Fe1 C45 C1 28.1(3)
C54 Fe1 C45 C1 -17.5(3)
C41 Fe1 C45 C1 121.8(3)
C42 Fe1 C51 C52 99.08(18)
C43 Fe1 C51 C52 57.7(2)
C44 Fe1 C51 C52 23.5(5)
C53 Fe1 C51 C52 -37.83(17)
C45 Fe1 C51 C52 176.6(2)
C55 Fe1 C51 C52 -119.4(2)
C54 Fe1 C51 C52 -81.51(18)
C41 Fe1 C51 C52 142.06(17)
C42 Fe1 C51 C55 -141.54(16)
C52 Fe1 C51 C55 119.4(2)
C43 Fe1 C51 C55 177.04(16)
C44 Fe1 C51 C55 142.9(4)
C53 Fe1 C51 C55 81.55(18)
C45 Fe1 C51 C55 -64.0(3)
C54 Fe1 C51 C55 37.87(16)
C41 Fe1 C51 C55 -98.56(18)
C42 Fe1 C51 C56 -20.6(3)
C52 Fe1 C51 C56 -119.6(4)
C43 Fe1 C51 C56 -62.0(3)
C44 Fe1 C51 C56 -96.1(5)
C53 Fe1 C51 C56 -157.5(3)
C45 Fe1 C51 C56 57.0(4)
C55 Fe1 C51 C56 121.0(4)
C54 Fe1 C51 C56 158.9(3)
C41 Fe1 C51 C56 22.4(3)
C55 C51 C52 C53 0.9(3)
C56 C51 C52 C53 -174.2(3)
Fe1 C51 C52 C53 60.4(2)
C55 C51 C52 C57 179.7(3)
C56 C51 C52 C57 4.7(5)
Fe1 C51 C52 C57 -120.8(3)
C55 C51 C52 Fe1 -59.46(19)
C56 C51 C52 Fe1 125.5(3)
C42 Fe1 C52 C53 145.86(17)
C43 Fe1 C52 C53 104.87(18)
C44 Fe1 C52 C53 69.2(2)
C51 Fe1 C52 C53 -118.9(2)
C45 Fe1 C52 C53 66.2(5)
C55 Fe1 C52 C53 -81.23(18)
C54 Fe1 C52 C53 -37.61(17)
C41 Fe1 C52 C53 171.00(19)
C42 Fe1 C52 C51 -95.26(18)
C43 Fe1 C52 C51 -136.25(17)
C44 Fe1 C52 C51 -171.91(16)
C53 Fe1 C52 C51 118.9(2)
C45 Fe1 C52 C51 -174.9(4)
C55 Fe1 C52 C51 37.66(17)
C54 Fe1 C52 C51 81.28(18)
C41 Fe1 C52 C51 -70.1(3)
C42 Fe1 C52 C57 25.1(3)
C43 Fe1 C52 C57 -15.9(3)
C44 Fe1 C52 C57 -51.6(3)
C51 Fe1 C52 C57 120.3(4)
C53 Fe1 C52 C57 -120.8(4)
C45 Fe1 C52 C57 -54.6(6)
C55 Fe1 C52 C57 158.0(3)
C54 Fe1 C52 C57 -158.4(3)
C41 Fe1 C52 C57 50.2(4)
C51 C52 C53 C54 -0.6(3)
C57 C52 C53 C54 -179.4(3)
Fe1 C52 C53 C54 59.7(2)
C51 C52 C53 C58 178.0(3)
C57 C52 C53 C58 -0.8(5)
Fe1 C52 C53 C58 -121.7(3)
C51 C52 C53 Fe1 -60.30(19)
C57 C52 C53 Fe1 120.9(3)
C42 Fe1 C53 C52 -54.5(2)
C43 Fe1 C53 C52 -85.03(18)
C44 Fe1 C53 C52 -126.77(17)
C51 Fe1 C53 C52 37.85(17)
C45 Fe1 C53 C52 -160.42(17)
C55 Fe1 C53 C52 81.85(18)
C54 Fe1 C53 C52 119.1(2)
C41 Fe1 C53 C52 -141.5(8)
C42 Fe1 C53 C54 -173.58(18)
C52 Fe1 C53 C54 -119.1(2)
C43 Fe1 C53 C54 155.88(17)
C44 Fe1 C53 C54 114.14(18)
C51 Fe1 C53 C54 -81.24(18)
C45 Fe1 C53 C54 80.5(2)
C55 Fe1 C53 C54 -37.24(17)
C41 Fe1 C53 C54 99.4(8)
C42 Fe1 C53 C58 65.5(4)
C52 Fe1 C53 C58 120.0(4)
C43 Fe1 C53 C58 34.9(3)
C44 Fe1 C53 C58 -6.8(3)
C51 Fe1 C53 C58 157.8(3)
C45 Fe1 C53 C58 -40.5(4)
C55 Fe1 C53 C58 -158.2(3)
C54 Fe1 C53 C58 -121.0(4)
C41 Fe1 C53 C58 -21.5(10)
C52 C53 C54 C55 0.0(3)
C58 C53 C54 C55 -178.6(3)
Fe1 C53 C54 C55 59.0(2)
C52 C53 C54 C59 177.2(3)
C58 C53 C54 C59 -1.4(5)
Fe1 C53 C54 C59 -123.8(3)
C52 C53 C54 Fe1 -59.01(19)
C58 C53 C54 Fe1 122.4(3)
C42 Fe1 C54 C53 89.4(16)
C52 Fe1 C54 C53 37.77(18)
C43 Fe1 C54 C53 -39.4(3)
C44 Fe1 C54 C53 -79.95(19)
C51 Fe1 C54 C53 81.68(19)
C45 Fe1 C54 C53 -125.07(18)
C55 Fe1 C54 C53 119.8(2)
C41 Fe1 C54 C53 -167.33(18)
C42 Fe1 C54 C55 -30.5(16)
C52 Fe1 C54 C55 -82.08(18)
C43 Fe1 C54 C55 -159.24(18)
C44 Fe1 C54 C55 160.20(16)
C51 Fe1 C54 C55 -38.17(16)
C53 Fe1 C54 C55 -119.8(2)
C45 Fe1 C54 C55 115.08(17)
C41 Fe1 C54 C55 72.8(2)
C42 Fe1 C54 C59 -151.7(14)
C52 Fe1 C54 C59 156.7(3)
C43 Fe1 C54 C59 79.5(3)
C44 Fe1 C54 C59 38.9(3)
C51 Fe1 C54 C59 -159.4(3)
C53 Fe1 C54 C59 118.9(4)
C45 Fe1 C54 C59 -6.2(3)
C55 Fe1 C54 C59 -121.2(3)
C41 Fe1 C54 C59 -48.4(4)
C53 C54 C55 C51 0.5(3)
C59 C54 C55 C51 -176.6(3)
Fe1 C54 C55 C51 59.40(19)
C53 C54 C55 C60 176.8(3)
C59 C54 C55 C60 -0.3(5)
Fe1 C54 C55 C60 -124.4(3)
C53 C54 C55 Fe1 -58.9(2)
C59 C54 C55 Fe1 124.0(3)
C52 C51 C55 C54 -0.9(3)
C56 C51 C55 C54 174.2(3)
Fe1 C51 C55 C54 -59.80(19)
C52 C51 C55 C60 -177.2(3)
C56 C51 C55 C60 -2.1(5)
Fe1 C51 C55 C60 123.9(3)
C52 C51 C55 Fe1 58.91(19)
C56 C51 C55 Fe1 -126.0(3)
C42 Fe1 C55 C54 176.96(17)
C52 Fe1 C55 C54 81.01(18)
C43 Fe1 C55 C54 108.1(5)
C44 Fe1 C55 C54 -39.7(3)
C51 Fe1 C55 C54 118.6(2)
C53 Fe1 C55 C54 37.23(17)
C45 Fe1 C55 C54 -88.60(19)
C41 Fe1 C55 C54 -136.46(16)
C42 Fe1 C55 C51 58.4(2)
C52 Fe1 C55 C51 -37.54(17)
C43 Fe1 C55 C51 -10.4(6)
C44 Fe1 C55 C51 -158.2(2)
C53 Fe1 C55 C51 -81.32(18)
C45 Fe1 C55 C51 152.85(16)
C54 Fe1 C55 C51 -118.6(2)
C41 Fe1 C55 C51 104.99(18)
C42 Fe1 C55 C60 -61.2(3)
C52 Fe1 C55 C60 -157.2(3)
C43 Fe1 C55 C60 -130.1(5)
C44 Fe1 C55 C60 82.1(3)
C51 Fe1 C55 C60 -119.6(3)
C53 Fe1 C55 C60 159.1(3)
C45 Fe1 C55 C60 33.2(3)
C54 Fe1 C55 C60 121.8(3)
C41 Fe1 C55 C60 -14.6(3)
C63 N2 C61 O2 -4.6(3)
Pd2 N2 C61 O2 165.16(17)
C63 N2 C61 C102 176.9(3)
Pd2 N2 C61 C102 -13.3(4)
C62 O2 C61 N2 -0.8(3)
C62 O2 C61 C102 177.9(2)
C61 O2 C62 C63 5.5(3)
C61 N2 C63 C62 7.4(3)
Pd2 N2 C63 C62 -162.71(18)
C61 N2 C63 C64 -115.8(3)
Pd2 N2 C63 C64 74.0(3)
O2 C62 C63 N2 -7.7(3)
O2 C62 C63 C64 115.1(3)
N2 C63 C64 C66 -61.2(3)
C62 C63 C64 C66 -177.8(2)
N2 C63 C64 C67 59.8(3)
C62 C63 C64 C67 -56.8(3)
N2 C63 C64 C65 -179.9(2)
C62 C63 C64 C65 63.5(3)
N2 Pd2 C72 C73 -40.0(7)
C74 Pd2 C72 C73 -28.8(2)
P2 Pd2 C72 C73 165.34(19)
Pd2 C72 C73 C74 56.2(3)
N2 Pd2 C73 C74 39.5(3)
C72 Pd2 C73 C74 -131.6(3)
P2 Pd2 C73 C74 -151.17(17)
N2 Pd2 C73 C72 171.12(17)
C74 Pd2 C73 C72 131.6(3)
P2 Pd2 C73 C72 -19.6(3)
C72 C73 C74 Pd2 -52.9(3)
N2 Pd2 C74 C73 -151.8(2)
C72 Pd2 C74 C73 30.2(2)
P2 Pd2 C74 C73 68.9(3)
C101 P2 C81 C86 124.3(2)
C91 P2 C81 C86 -126.2(2)
Pd2 P2 C81 C86 -3.8(3)
C101 P2 C81 C82 -58.5(3)
C91 P2 C81 C82 51.1(3)
Pd2 P2 C81 C82 173.42(19)
C86 C81 C82 C83 -1.4(4)
P2 C81 C82 C83 -178.6(2)
C81 C82 C83 C84 -0.1(4)
C82 C83 C84 C85 1.4(5)
C83 C84 C85 C86 -1.1(5)
C84 C85 C86 C81 -0.4(4)
C82 C81 C86 C85 1.6(4)
P2 C81 C86 C85 178.9(2)
C101 P2 C91 C96 143.2(2)
C81 P2 C91 C96 27.4(3)
Pd2 P2 C91 C96 -101.4(2)
C101 P2 C91 C92 -42.6(2)
C81 P2 C91 C92 -158.4(2)
Pd2 P2 C91 C92 72.8(2)
C96 C91 C92 C93 -1.8(4)
P2 C91 C92 C93 -176.2(2)
C91 C92 C93 C94 0.6(4)
C92 C93 C94 C95 0.3(5)
C93 C94 C95 C96 0.1(5)
C94 C95 C96 C91 -1.3(5)
C92 C91 C96 C95 2.1(4)
P2 C91 C96 C95 176.3(2)
C81 P2 C101 C105 77.5(3)
C91 P2 C101 C105 -34.1(3)
Pd2 P2 C101 C105 -149.3(2)
C81 P2 C101 C102 -126.6(2)
C91 P2 C101 C102 121.8(2)
Pd2 P2 C101 C102 6.7(3)
C81 P2 C101 Fe2 -25.0(3)
C91 P2 C101 Fe2 -136.5(2)
Pd2 P2 C101 Fe2 108.3(2)
C103 Fe2 C101 C105 80.83(17)
C111 Fe2 C101 C105 -35.8(3)
C104 Fe2 C101 C105 37.31(16)
C112 Fe2 C101 C105 112.5(6)
C115 Fe2 C101 C105 -81.51(19)
C102 Fe2 C101 C105 118.2(2)
C114 Fe2 C101 C105 -127.94(17)
C113 Fe2 C101 C105 -172.76(17)
C105 Fe2 C101 C102 -118.2(2)
C103 Fe2 C101 C102 -37.37(15)
C111 Fe2 C101 C102 -154.0(2)
C104 Fe2 C101 C102 -80.89(17)
C112 Fe2 C101 C102 -5.7(7)
C115 Fe2 C101 C102 160.30(16)
C114 Fe2 C101 C102 113.87(17)
C113 Fe2 C101 C102 69.0(2)
C105 Fe2 C101 P2 121.6(3)
C103 Fe2 C101 P2 -157.6(3)
C111 Fe2 C101 P2 85.8(3)
C104 Fe2 C101 P2 158.9(3)
C112 Fe2 C101 P2 -125.9(6)
C115 Fe2 C101 P2 40.1(3)
C102 Fe2 C101 P2 -120.2(3)
C114 Fe2 C101 P2 -6.3(3)
C113 Fe2 C101 P2 -51.1(3)
N2 C61 C102 C103 160.6(3)
O2 C61 C102 C103 -18.0(4)
N2 C61 C102 C101 -17.8(5)
O2 C61 C102 C101 163.7(2)
N2 C61 C102 Fe2 -109.8(3)
O2 C61 C102 Fe2 71.7(3)
C105 C101 C102 C103 -0.1(3)
P2 C101 C102 C103 -160.0(2)
Fe2 C101 C102 C103 58.51(18)
C105 C101 C102 C61 178.4(3)
P2 C101 C102 C61 18.6(4)
Fe2 C101 C102 C61 -122.9(3)
C105 C101 C102 Fe2 -58.65(18)
P2 C101 C102 Fe2 141.5(2)
C105 Fe2 C102 C103 -81.45(17)
C111 Fe2 C102 C103 12.3(4)
C104 Fe2 C102 C103 -37.67(16)
C112 Fe2 C102 C103 59.1(2)
C115 Fe2 C102 C103 -167.6(3)
C114 Fe2 C102 C103 148.60(16)
C101 Fe2 C102 C103 -119.6(2)
C113 Fe2 C102 C103 103.52(17)
C105 Fe2 C102 C61 159.6(3)
C103 Fe2 C102 C61 -119.0(3)
C111 Fe2 C102 C61 -106.7(4)
C104 Fe2 C102 C61 -156.6(3)
C112 Fe2 C102 C61 -59.8(3)
C115 Fe2 C102 C61 73.4(4)
C114 Fe2 C102 C61 29.6(3)
C101 Fe2 C102 C61 121.4(3)
C113 Fe2 C102 C61 -15.4(3)
C105 Fe2 C102 C101 38.16(15)
C103 Fe2 C102 C101 119.6(2)
C111 Fe2 C102 C101 131.9(4)
C104 Fe2 C102 C101 81.93(16)
C112 Fe2 C102 C101 178.72(16)
C115 Fe2 C102 C101 -48.0(3)
C114 Fe2 C102 C101 -91.79(18)
C113 Fe2 C102 C101 -136.88(16)
C61 C102 C103 C104 -177.6(2)
C101 C102 C103 C104 1.0(3)
Fe2 C102 C103 C104 59.94(19)
C61 C102 C103 Fe2 122.4(3)
C101 C102 C103 Fe2 -58.96(18)
C105 Fe2 C103 C104 -37.31(16)
C111 Fe2 C103 C104 65.4(2)
C112 Fe2 C103 C104 104.33(17)
C115 Fe2 C103 C104 46.3(4)
C102 Fe2 C103 C104 -119.0(2)
C114 Fe2 C103 C104 170.7(2)
C101 Fe2 C103 C104 -81.14(17)
C113 Fe2 C103 C104 144.74(16)
C105 Fe2 C103 C102 81.70(16)
C111 Fe2 C103 C102 -175.57(16)
C104 Fe2 C103 C102 119.0(2)
C112 Fe2 C103 C102 -136.66(17)
C115 Fe2 C103 C102 165.3(3)
C114 Fe2 C103 C102 -70.3(3)
C101 Fe2 C103 C102 37.87(15)
C113 Fe2 C103 C102 -96.25(17)
C102 C103 C104 C105 -1.4(3)
Fe2 C103 C104 C105 58.74(19)
C102 C103 C104 Fe2 -60.19(19)
C105 Fe2 C104 C103 119.9(2)
C111 Fe2 C104 C103 -128.22(17)
C112 Fe2 C104 C103 -87.15(18)
C115 Fe2 C104 C103 -163.31(16)
C102 Fe2 C104 C103 37.89(15)
C114 Fe2 C104 C103 -163.0(4)
C101 Fe2 C104 C103 82.43(17)
C113 Fe2 C104 C103 -62.4(3)
C103 Fe2 C104 C105 -119.9(2)
C111 Fe2 C104 C105 111.90(17)
C112 Fe2 C104 C105 152.97(16)
C115 Fe2 C104 C105 76.82(19)
C102 Fe2 C104 C105 -81.99(17)
C114 Fe2 C104 C105 77.1(5)
C101 Fe2 C104 C105 -37.45(16)
C113 Fe2 C104 C105 177.69(19)
C103 C104 C105 C101 1.4(3)
Fe2 C104 C105 C101 60.23(19)
C103 C104 C105 Fe2 -58.86(19)
C102 C101 C105 C104 -0.8(3)
P2 C101 C105 C104 158.8(2)
Fe2 C101 C105 C104 -59.78(19)
C102 C101 C105 Fe2 59.03(18)
P2 C101 C105 Fe2 -141.4(2)
C103 Fe2 C105 C104 37.23(16)
C111 Fe2 C105 C104 -79.52(18)
C112 Fe2 C105 C104 -44.7(3)
C115 Fe2 C105 C104 -122.84(17)
C102 Fe2 C105 C104 81.12(17)
C114 Fe2 C105 C104 -160.07(17)
C101 Fe2 C105 C104 119.8(2)
C113 Fe2 C105 C104 -164.4(13)
C103 Fe2 C105 C101 -82.56(17)
C111 Fe2 C105 C101 160.70(16)
C104 Fe2 C105 C101 -119.8(2)
C112 Fe2 C105 C101 -164.49(18)
C115 Fe2 C105 C101 117.37(17)
C102 Fe2 C105 C101 -38.66(16)
C114 Fe2 C105 C101 80.1(2)
C113 Fe2 C105 C101 75.9(13)
C105 Fe2 C111 C112 147.55(17)
C103 Fe2 C111 C112 70.4(2)
C104 Fe2 C111 C112 107.13(18)
C115 Fe2 C111 C112 -119.1(3)
C102 Fe2 C111 C112 61.0(4)
C114 Fe2 C111 C112 -81.70(18)
C101 Fe2 C111 C112 171.8(2)
C113 Fe2 C111 C112 -37.82(17)
C105 Fe2 C111 C115 -93.38(19)
C103 Fe2 C111 C115 -170.58(17)
C104 Fe2 C111 C115 -133.81(18)
C112 Fe2 C111 C115 119.1(3)
C102 Fe2 C111 C115 -180.0(3)
C114 Fe2 C111 C115 37.37(17)
C101 Fe2 C111 C115 -69.1(3)
C113 Fe2 C111 C115 81.24(18)
C105 Fe2 C111 C116 27.5(3)
C103 Fe2 C111 C116 -49.7(3)
C104 Fe2 C111 C116 -12.9(3)
C112 Fe2 C111 C116 -120.0(4)
C115 Fe2 C111 C116 120.9(4)
C102 Fe2 C111 C116 -59.1(5)
C114 Fe2 C111 C116 158.3(3)
C101 Fe2 C111 C116 51.8(4)
C113 Fe2 C111 C116 -157.8(3)
C115 C111 C112 C113 0.4(3)
C116 C111 C112 C113 -178.5(3)
Fe2 C111 C112 C113 60.3(2)
C115 C111 C112 C117 178.0(3)
C116 C111 C112 C117 -0.9(5)
Fe2 C111 C112 C117 -122.1(3)
C115 C111 C112 Fe2 -59.8(2)
C116 C111 C112 Fe2 121.3(3)
C105 Fe2 C112 C113 -173.29(18)
C103 Fe2 C112 C113 116.36(17)
C111 Fe2 C112 C113 -118.8(2)
C104 Fe2 C112 C113 157.88(17)
C115 Fe2 C112 C113 -80.93(18)
C102 Fe2 C112 C113 81.5(2)
C114 Fe2 C112 C113 -37.22(16)
C101 Fe2 C112 C113 86.2(7)
C105 Fe2 C112 C111 -54.5(3)
C103 Fe2 C112 C111 -124.88(17)
C104 Fe2 C112 C111 -83.36(18)
C115 Fe2 C112 C111 37.83(17)
C102 Fe2 C112 C111 -159.79(17)
C114 Fe2 C112 C111 81.54(18)
C101 Fe2 C112 C111 -155.0(6)
C113 Fe2 C112 C111 118.8(2)
C105 Fe2 C112 C117 66.5(4)
C103 Fe2 C112 C117 -3.8(3)
C111 Fe2 C112 C117 121.1(4)
C104 Fe2 C112 C117 37.7(3)
C115 Fe2 C112 C117 158.9(3)
C102 Fe2 C112 C117 -38.7(4)
C114 Fe2 C112 C117 -157.4(3)
C101 Fe2 C112 C117 -33.9(8)
C113 Fe2 C112 C117 -120.2(4)
C111 C112 C113 C114 -1.1(3)
C117 C112 C113 C114 -178.8(3)
Fe2 C112 C113 C114 58.52(19)
C111 C112 C113 C118 175.5(3)
C117 C112 C113 C118 -2.1(5)
Fe2 C112 C113 C118 -124.8(3)
C111 C112 C113 Fe2 -59.6(2)
C117 C112 C113 Fe2 122.7(3)
C105 Fe2 C113 C112 124.9(13)
C103 Fe2 C113 C112 -77.56(19)
C111 Fe2 C113 C112 38.03(17)
C104 Fe2 C113 C112 -37.7(3)
C115 Fe2 C113 C112 82.11(18)
C102 Fe2 C113 C112 -122.52(17)
C114 Fe2 C113 C112 120.2(2)
C101 Fe2 C113 C112 -164.71(17)
C105 Fe2 C113 C114 4.7(14)
C103 Fe2 C113 C114 162.29(16)
C111 Fe2 C113 C114 -82.12(18)
C104 Fe2 C113 C114 -157.83(19)
C112 Fe2 C113 C114 -120.2(2)
C115 Fe2 C113 C114 -38.04(16)
C102 Fe2 C113 C114 117.33(17)
C101 Fe2 C113 C114 75.1(2)
C105 Fe2 C113 C118 -116.0(13)
C103 Fe2 C113 C118 41.6(3)
C111 Fe2 C113 C118 157.2(3)
C104 Fe2 C113 C118 81.5(3)
C112 Fe2 C113 C118 119.2(3)
C115 Fe2 C113 C118 -158.7(3)
C102 Fe2 C113 C118 -3.3(3)
C114 Fe2 C113 C118 -120.7(3)
C101 Fe2 C113 C118 -45.5(3)
C112 C113 C114 C115 1.4(3)
C118 C113 C114 C115 -175.3(3)
Fe2 C113 C114 C115 59.7(2)
C112 C113 C114 C119 178.2(3)
C118 C113 C114 C119 1.5(5)
Fe2 C113 C114 C119 -123.6(3)
C112 C113 C114 Fe2 -58.3(2)
C118 C113 C114 Fe2 125.1(3)
C105 Fe2 C114 C115 62.1(2)
C103 Fe2 C114 C115 -155.6(2)
C111 Fe2 C114 C115 -37.55(17)
C104 Fe2 C114 C115 -0.3(5)
C112 Fe2 C114 C115 -81.41(18)
C102 Fe2 C114 C115 155.71(16)
C101 Fe2 C114 C115 108.13(17)
C113 Fe2 C114 C115 -118.5(2)
C105 Fe2 C114 C113 -179.43(17)
C103 Fe2 C114 C113 -37.1(3)
C111 Fe2 C114 C113 80.93(18)
C104 Fe2 C114 C113 118.1(4)
C112 Fe2 C114 C113 37.06(17)
C115 Fe2 C114 C113 118.5(2)
C102 Fe2 C114 C113 -85.81(19)
C101 Fe2 C114 C113 -133.40(17)
C105 Fe2 C114 C119 -58.1(3)
C103 Fe2 C114 C119 84.2(4)
C111 Fe2 C114 C119 -157.8(3)
C104 Fe2 C114 C119 -120.6(4)
C112 Fe2 C114 C119 158.3(3)
C115 Fe2 C114 C119 -120.2(3)
C102 Fe2 C114 C119 35.5(3)
C101 Fe2 C114 C119 -12.1(3)
C113 Fe2 C114 C119 121.3(3)
C113 C114 C115 C111 -1.1(3)
C119 C114 C115 C111 -177.9(3)
Fe2 C114 C115 C111 58.8(2)
C113 C114 C115 C120 173.8(3)
C119 C114 C115 C120 -3.0(5)
Fe2 C114 C115 C120 -126.2(3)
C113 C114 C115 Fe2 -59.92(19)
C119 C114 C115 Fe2 123.3(3)
C112 C111 C115 C114 0.4(3)
C116 C111 C115 C114 179.3(3)
Fe2 C111 C115 C114 -59.3(2)
C112 C111 C115 C120 -174.6(3)
C116 C111 C115 C120 4.3(5)
Fe2 C111 C115 C120 125.7(3)
C112 C111 C115 Fe2 59.7(2)
C116 C111 C115 Fe2 -121.4(3)
C105 Fe2 C115 C114 -138.29(17)
C103 Fe2 C115 C114 145.0(3)
C111 Fe2 C115 C114 119.6(3)
C104 Fe2 C115 C114 179.90(16)
C112 Fe2 C115 C114 81.85(18)
C102 Fe2 C115 C114 -60.4(4)
C101 Fe2 C115 C114 -95.50(19)
C113 Fe2 C115 C114 38.13(17)
C105 Fe2 C115 C111 102.06(18)
C103 Fe2 C115 C111 25.3(4)
C104 Fe2 C115 C111 60.3(2)
C112 Fe2 C115 C111 -37.79(18)
C102 Fe2 C115 C111 180.0(3)
C114 Fe2 C115 C111 -119.6(3)
C101 Fe2 C115 C111 144.86(17)
C113 Fe2 C115 C111 -81.52(19)
C105 Fe2 C115 C120 -16.8(3)
C103 Fe2 C115 C120 -93.6(4)
C111 Fe2 C115 C120 -118.9(4)
C104 Fe2 C115 C120 -58.6(3)
C112 Fe2 C115 C120 -156.7(3)
C102 Fe2 C115 C120 61.1(5)
C114 Fe2 C115 C120 121.5(4)
C101 Fe2 C115 C120 26.0(3)
C113 Fe2 C115 C120 159.6(3)
