#------------------------------------------------------------------------------
#$Date: 2019-11-26 17:04:08 +0200 (Tue, 26 Nov 2019) $
#$Revision: 243689 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/95/4089560.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_4089560
loop_
_publ_author_name
'Gramigna, Kathryn M.'
'Oria, Jeremy V.'
'Mandell, Chelsea L.'
'Tiedemann, Margaret A.'
'Dougherty, William G.'
'Piro, Nicholas A.'
'Kassel, W. Scott'
'Chan, Benny C.'
'Diaconescu, Paula L.'
'Nataro, Chip'
_publ_section_title
;
 Palladium(II) and Platinum(II) Compounds of
 1,1′-Bis(phosphino)metallocene (M = Fe, Ru) Ligands with
 Metal--Metal Interactions
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              5966
_journal_paper_doi               10.1021/om400494t
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C26 H47 B2 Cl F8 Fe P3 Pd'
_chemical_formula_weight         823.87
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_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                 91.838(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.5061(9)
_cell_length_b                   15.7501(13)
_cell_length_c                   20.6150(18)
_cell_measurement_reflns_used    9938
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      31.69
_cell_measurement_theta_min      2.36
_cell_volume                     3409.5(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0424
_diffrn_reflns_av_sigmaI/netI    0.0434
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            57671
_diffrn_reflns_theta_full        32.08
_diffrn_reflns_theta_max         32.08
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    1.233
_exptl_absorpt_correction_T_max  0.9409
_exptl_absorpt_correction_T_min  0.7905
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1676
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.801
_refine_diff_density_min         -0.773
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     436
_refine_ls_number_reflns         11838
_refine_ls_number_restraints     170
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0518
_refine_ls_R_factor_gt           0.0324
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0279P)²+1.9959P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0649
_refine_ls_wR_factor_ref         0.0718
_reflns_number_gt                9172
_reflns_number_total             11838
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400494t_si_001.cif
_cod_data_source_block           '[Pd(dippf)PMe3]'
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4089560
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
Fe1 Fe 0.47001(2) 0.830252(17) 0.764813(12) 0.01462(6) Uani 1 1 d . . .
Pd1 Pd 0.257288(13) 0.822698(8) 0.859524(6) 0.01164(4) Uani 1 1 d . . .
P1 P 0.40257(5) 0.73340(3) 0.90911(2) 0.01505(9) Uani 1 1 d . . .
P2 P 0.17764(5) 0.91962(3) 0.78583(2) 0.01493(9) Uani 1 1 d . . .
P3 P 0.09093(5) 0.80776(3) 0.92534(2) 0.01638(10) Uani 1 1 d . . .
C1 C 0.48608(18) 0.73367(12) 0.83511(9) 0.0166(4) Uani 1 1 d . . .
C2 C 0.4336(2) 0.70160(12) 0.77413(9) 0.0188(4) Uani 1 1 d . . .
H2A H 0.3493 0.6730 0.7672 0.023 Uiso 1 1 calc R . .
C3 C 0.5256(2) 0.71515(14) 0.72687(10) 0.0287(5) Uani 1 1 d . . .
H3A H 0.5174 0.6980 0.6802 0.034 Uiso 1 1 calc R . .
C4 C 0.6306(2) 0.75752(15) 0.75644(11) 0.0298(5) Uani 1 1 d . . .
H4A H 0.7095 0.7751 0.7341 0.036 Uiso 1 1 calc R . .
C5 C 0.60725(19) 0.77020(14) 0.82289(10) 0.0245(4) Uani 1 1 d . . .
H5A H 0.6660 0.7980 0.8556 0.029 Uiso 1 1 calc R . .
C6 C 0.33140(18) 0.92658(12) 0.75154(9) 0.0174(4) Uani 1 1 d . . .
C7 C 0.37007(19) 0.89310(13) 0.69069(9) 0.0201(4) Uani 1 1 d . . .
H7A H 0.3131 0.8661 0.6568 0.024 Uiso 1 1 calc R . .
C8 C 0.5025(2) 0.90666(14) 0.68623(10) 0.0238(4) Uani 1 1 d . . .
H8A H 0.5550 0.8913 0.6484 0.029 Uiso 1 1 calc R . .
C9 C 0.5480(2) 0.94722(14) 0.74400(11) 0.0258(5) Uani 1 1 d . . .
H9A H 0.6380 0.9649 0.7538 0.031 Uiso 1 1 calc R . .
C10 C 0.44482(19) 0.95791(12) 0.78534(10) 0.0210(4) Uani 1 1 d . . .
H10A H 0.4487 0.9845 0.8294 0.025 Uiso 1 1 calc R . .
C11 C 0.3770(2) 0.62020(13) 0.92787(10) 0.0232(4) Uani 1 1 d . . .
H11A H 0.3437 0.6169 0.9727 0.028 Uiso 1 1 calc R . .
C12 C 0.5033(2) 0.57186(14) 0.92803(11) 0.0300(5) Uani 1 1 d . . .
H12A H 0.4884 0.5122 0.9389 0.045 Uiso 1 1 calc R . .
H12B H 0.5625 0.5969 0.9604 0.045 Uiso 1 1 calc R . .
H12C H 0.5398 0.5756 0.8850 0.045 Uiso 1 1 calc R . .
C13 C 0.2784(2) 0.57958(14) 0.88203(11) 0.0280(5) Uani 1 1 d . . .
H13A H 0.2562 0.5232 0.8983 0.042 Uiso 1 1 calc R . .
H13B H 0.3135 0.5742 0.8388 0.042 Uiso 1 1 calc R . .
H13C H 0.2019 0.6152 0.8795 0.042 Uiso 1 1 calc R . .
C14 C 0.5115(2) 0.77881(14) 0.97139(9) 0.0239(4) Uani 1 1 d . . .
H14A H 0.5979 0.7541 0.9651 0.029 Uiso 1 1 calc R . .
C15 C 0.4719(2) 0.75644(18) 1.04025(10) 0.0357(6) Uani 1 1 d . . .
H15A H 0.5382 0.7751 1.0716 0.053 Uiso 1 1 calc R . .
H15B H 0.4606 0.6949 1.0438 0.053 Uiso 1 1 calc R . .
H15C H 0.3916 0.7850 1.0494 0.053 Uiso 1 1 calc R . .
C16 C 0.5218(3) 0.87521(16) 0.96380(13) 0.0406(6) Uani 1 1 d . . .
H16A H 0.5858 0.8972 0.9950 0.061 Uiso 1 1 calc R . .
H16B H 0.4391 0.9013 0.9719 0.061 Uiso 1 1 calc R . .
H16C H 0.5470 0.8888 0.9196 0.061 Uiso 1 1 calc R . .
C17 C 0.1321(2) 1.02759(13) 0.80947(11) 0.0264(5) Uani 1 1 d . . .
H17A H 0.0418 1.0250 0.8233 0.032 Uiso 1 1 calc R . .
C18 C 0.2125(3) 1.06089(15) 0.86744(13) 0.0367(6) Uani 1 1 d . . .
H18A H 0.1708 1.1107 0.8858 0.055 Uiso 1 1 calc R . .
H18B H 0.2971 1.0769 0.8530 0.055 Uiso 1 1 calc R . .
H18C H 0.2208 1.0164 0.9006 0.055 Uiso 1 1 calc R . .
C19 C 0.1361(3) 1.08874(15) 0.75145(13) 0.0404(6) Uani 1 1 d . . .
H19A H 0.1069 1.1450 0.7647 0.061 Uiso 1 1 calc R . .
H19B H 0.0803 1.0674 0.7161 0.061 Uiso 1 1 calc R . .
H19C H 0.2235 1.0928 0.7366 0.061 Uiso 1 1 calc R . .
C20 C 0.06797(18) 0.88290(13) 0.72062(9) 0.0191(4) Uani 1 1 d . . .
H20A H 0.0902 0.9129 0.6798 0.023 Uiso 1 1 calc R . .
C21 C 0.0841(2) 0.78739(14) 0.70968(10) 0.0250(4) Uani 1 1 d . . .
H21A H 0.0275 0.7691 0.6737 0.038 Uiso 1 1 calc R . .
H21B H 0.0626 0.7567 0.7492 0.038 Uiso 1 1 calc R . .
H21C H 0.1726 0.7753 0.6992 0.038 Uiso 1 1 calc R . .
C22 C -0.0698(2) 0.90539(16) 0.73574(11) 0.0294(5) Uani 1 1 d . . .
H22A H -0.1273 0.8817 0.7021 0.044 Uiso 1 1 calc R . .
H22B H -0.0794 0.9673 0.7368 0.044 Uiso 1 1 calc R . .
H22C H -0.0907 0.8816 0.7780 0.044 Uiso 1 1 calc R . .
C23 C 0.1250(2) 0.75485(14) 1.00154(9) 0.0227(4) Uani 1 1 d . . .
H23A H 0.0456 0.7464 1.0244 0.034 Uiso 1 1 calc R . .
H23B H 0.1834 0.7898 1.0283 0.034 Uiso 1 1 calc R . .
H23C H 0.1645 0.6997 0.9934 0.034 Uiso 1 1 calc R . .
C24 C -0.0338(2) 0.74404(16) 0.88645(11) 0.0301(5) Uani 1 1 d . . .
H24A H -0.1011 0.7335 0.9172 0.045 Uiso 1 1 calc R . .
H24B H 0.0020 0.6898 0.8726 0.045 Uiso 1 1 calc R . .
H24C H -0.0694 0.7744 0.8486 0.045 Uiso 1 1 calc R . .
C25 C 0.0124(2) 0.90355(15) 0.94999(11) 0.0330(5) Uani 1 1 d . . .
H25A H -0.0590 0.8890 0.9774 0.049 Uiso 1 1 calc R . .
H25B H -0.0196 0.9343 0.9115 0.049 Uiso 1 1 calc R . .
H25C H 0.0729 0.9395 0.9745 0.049 Uiso 1 1 calc R . .
B1 B 0.2076(2) 0.18372(16) 0.42850(11) 0.0242(5) Uani 1 1 d D . .
F1 F 0.09119(13) 0.14228(9) 0.41823(6) 0.0351(3) Uani 1 1 d D . .
F2 F 0.19925(14) 0.23878(11) 0.48054(7) 0.0441(4) Uani 1 1 d D . .
F3 F 0.30257(14) 0.12429(9) 0.44015(8) 0.0421(4) Uani 1 1 d D . .
F4 F 0.23705(14) 0.23021(9) 0.37395(7) 0.0395(3) Uani 1 1 d D . .
B2 B 0.2405(5) 0.9441(4) 0.1416(2) 0.0479(12) Uani 0.728(4) 1 d PDU A 1
F5 F 0.2354(8) 1.0348(4) 0.1366(5) 0.0414(14) Uani 0.728(4) 1 d PDU A 1
F6 F 0.2101(2) 0.91796(13) 0.20364(12) 0.0500(7) Uani 0.728(4) 1 d PDU A 1
F7 F 0.3676(3) 0.9230(2) 0.1297(2) 0.0656(11) Uani 0.728(4) 1 d PDU A 1
F8 F 0.1493(5) 0.9155(3) 0.09719(19) 0.0970(16) Uani 0.728(4) 1 d PDU A 1
B2' B 0.2496(12) 0.9532(8) 0.1163(6) 0.043(2) Uani 0.272(4) 1 d PDU A 2
F5' F 0.258(2) 1.0325(10) 0.1443(13) 0.035(3) Uani 0.272(4) 1 d PDU A 2
F6' F 0.2501(7) 0.9474(4) 0.0499(3) 0.060(2) Uani 0.272(4) 1 d PDU A 2
F7' F 0.3322(11) 0.8893(7) 0.1353(8) 0.091(3) Uani 0.272(4) 1 d PDU A 2
F8' F 0.1375(10) 0.9153(7) 0.1309(6) 0.086(3) Uani 0.272(4) 1 d PDU A 2
Cl1 Cl -0.17388(6) 0.01327(4) 0.44239(3) 0.03773(14) Uani 1 1 d . . .
C26 C -0.0188(2) -0.02276(15) 0.46916(11) 0.0301(5) Uani 1 1 d . . .
H26A H -0.0204 -0.0848 0.4768 0.036 Uiso 1 1 calc R . .
H26B H 0.0438 -0.0108 0.4355 0.036 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'
B B 0.0013 0.0007 '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'
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
C4 Fe1 C8 95.90(9) .
C4 Fe1 C3 40.09(10) .
C8 Fe1 C3 99.17(9) .
C4 Fe1 C9 98.48(9) .
C8 Fe1 C9 40.32(9) .
C3 Fe1 C9 125.79(9) .
C4 Fe1 C2 67.44(9) .
C8 Fe1 C2 132.95(8) .
C3 Fe1 C2 39.84(8) .
C9 Fe1 C2 165.10(8) .
C4 Fe1 C5 40.09(9) .
C8 Fe1 C5 126.33(8) .
C3 Fe1 C5 67.57(9) .
C9 Fe1 C5 104.68(9) .
C2 Fe1 C5 68.11(8) .
C4 Fe1 C10 132.02(9) .
C8 Fe1 C10 67.58(9) .
C3 Fe1 C10 165.39(9) .
C9 Fe1 C10 39.84(8) .
C2 Fe1 C10 154.72(8) .
C5 Fe1 C10 114.55(9) .
C4 Fe1 C7 127.01(8) .
C8 Fe1 C7 40.00(8) .
C3 Fe1 C7 106.38(8) .
C9 Fe1 C7 67.48(8) .
C2 Fe1 C7 116.35(8) .
C5 Fe1 C7 165.52(8) .
C10 Fe1 C7 67.87(8) .
C4 Fe1 C1 66.81(8) .
C8 Fe1 C1 162.65(8) .
C3 Fe1 C1 66.98(8) .
C9 Fe1 C1 139.79(8) .
C2 Fe1 C1 40.54(7) .
C5 Fe1 C1 39.94(8) .
C10 Fe1 C1 124.64(8) .
C7 Fe1 C1 151.49(8) .
C4 Fe1 C6 162.68(8) .
C8 Fe1 C6 66.98(8) .
C3 Fe1 C6 141.47(9) .
C9 Fe1 C6 67.03(8) .
C2 Fe1 C6 125.83(8) .
C5 Fe1 C6 149.94(8) .
C10 Fe1 C6 40.43(8) .
C7 Fe1 C6 39.93(7) .
C1 Fe1 C6 130.36(7) .
C4 Fe1 Pd1 131.37(6) .
C8 Fe1 Pd1 132.72(6) .
C3 Fe1 Pd1 115.76(6) .
C9 Fe1 Pd1 118.45(6) .
C2 Fe1 Pd1 76.04(5) .
C5 Fe1 Pd1 97.14(6) .
C10 Fe1 Pd1 78.70(6) .
C7 Fe1 Pd1 97.32(6) .
C1 Fe1 Pd1 64.56(5) .
C6 Fe1 Pd1 65.84(5) .
P3 Pd1 P1 100.676(19) .
P3 Pd1 P2 101.208(19) .
P1 Pd1 P2 158.090(19) .
P3 Pd1 Fe1 175.088(15) .
P1 Pd1 Fe1 79.412(14) .
P2 Pd1 Fe1 78.876(15) .
C1 P1 C14 106.52(10) .
C1 P1 C11 105.10(9) .
C14 P1 C11 108.74(10) .
C1 P1 Pd1 87.47(6) .
C14 P1 Pd1 117.63(7) .
C11 P1 Pd1 125.93(7) .
C6 P2 C20 106.48(9) .
C6 P2 C17 107.14(10) .
C20 P2 C17 108.86(10) .
C6 P2 Pd1 89.29(6) .
C20 P2 Pd1 118.86(7) .
C17 P2 Pd1 122.23(7) .
C25 P3 C23 102.77(10) .
C25 P3 C24 104.89(12) .
C23 P3 C24 104.43(11) .
C25 P3 Pd1 116.92(8) .
C23 P3 Pd1 115.82(7) .
C24 P3 Pd1 110.70(7) .
C5 C1 C2 107.72(17) .
C5 C1 P1 128.17(15) .
C2 C1 P1 123.91(15) .
C5 C1 Fe1 68.85(11) .
C2 C1 Fe1 68.54(10) .
P1 C1 Fe1 124.05(10) .
C3 C2 C1 107.29(19) .
C3 C2 Fe1 69.85(12) .
C1 C2 Fe1 70.92(11) .
C3 C2 H2A 126.3 .
C1 C2 H2A 126.3 .
Fe1 C2 H2A 126.3 .
C2 C3 C4 108.47(19) .
C2 C3 Fe1 70.31(12) .
C4 C3 Fe1 69.40(13) .
C2 C3 H3A 125.8 .
C4 C3 H3A 125.8 .
Fe1 C3 H3A 125.8 .
C3 C4 C5 109.12(19) .
C3 C4 Fe1 70.52(12) .
C5 C4 Fe1 70.77(12) .
C3 C4 H4A 125.4 .
C5 C4 H4A 125.4 .
Fe1 C4 H4A 125.4 .
C4 C5 C1 107.33(19) .
C4 C5 Fe1 69.14(12) .
C1 C5 Fe1 71.21(11) .
C4 C5 H5A 126.3 .
C1 C5 H5A 126.3 .
Fe1 C5 H5A 126.3 .
C7 C6 C10 107.16(17) .
C7 C6 P2 127.56(15) .
C10 C6 P2 124.82(15) .
C7 C6 Fe1 68.63(11) .
C10 C6 Fe1 68.25(11) .
P2 C6 Fe1 122.16(10) .
C8 C7 C6 108.00(18) .
C8 C7 Fe1 69.17(11) .
C6 C7 Fe1 71.45(11) .
C8 C7 H7A 126.0 .
C6 C7 H7A 126.0 .
Fe1 C7 H7A 126.0 .
C7 C8 C9 108.61(18) .
C7 C8 Fe1 70.83(11) .
C9 C8 Fe1 70.28(11) .
C7 C8 H8A 125.7 .
C9 C8 H8A 125.7 .
Fe1 C8 H8A 125.7 .
C10 C9 C8 108.39(18) .
C10 C9 Fe1 70.33(11) .
C8 C9 Fe1 69.40(12) .
C10 C9 H9A 125.8 .
C8 C9 H9A 125.8 .
Fe1 C9 H9A 125.8 .
C9 C10 C6 107.78(18) .
C9 C10 Fe1 69.84(12) .
C6 C10 Fe1 71.31(11) .
C9 C10 H10A 126.1 .
C6 C10 H10A 126.1 .
Fe1 C10 H10A 126.1 .
C13 C11 C12 111.43(18) .
C13 C11 P1 112.15(14) .
C12 C11 P1 110.42(16) .
C13 C11 H11A 107.5 .
C12 C11 H11A 107.5 .
P1 C11 H11A 107.5 .
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 .
C11 C13 H13A 109.5 .
C11 C13 H13B 109.5 .
H13A C13 H13B 109.5 .
C11 C13 H13C 109.5 .
H13A C13 H13C 109.5 .
H13B C13 H13C 109.5 .
C16 C14 C15 110.17(19) .
C16 C14 P1 111.05(14) .
C15 C14 P1 112.11(16) .
C16 C14 H14A 107.8 .
C15 C14 H14A 107.8 .
P1 C14 H14A 107.8 .
C14 C15 H15A 109.5 .
C14 C15 H15B 109.5 .
H15A C15 H15B 109.5 .
C14 C15 H15C 109.5 .
H15A C15 H15C 109.5 .
H15B C15 H15C 109.5 .
C14 C16 H16A 109.5 .
C14 C16 H16B 109.5 .
H16A C16 H16B 109.5 .
C14 C16 H16C 109.5 .
H16A C16 H16C 109.5 .
H16B C16 H16C 109.5 .
C18 C17 C19 111.3(2) .
C18 C17 P2 112.44(15) .
C19 C17 P2 111.10(16) .
C18 C17 H17A 107.2 .
C19 C17 H17A 107.2 .
P2 C17 H17A 107.2 .
C17 C18 H18A 109.5 .
C17 C18 H18B 109.5 .
H18A C18 H18B 109.5 .
C17 C18 H18C 109.5 .
H18A C18 H18C 109.5 .
H18B C18 H18C 109.5 .
C17 C19 H19A 109.5 .
C17 C19 H19B 109.5 .
H19A C19 H19B 109.5 .
C17 C19 H19C 109.5 .
H19A C19 H19C 109.5 .
H19B C19 H19C 109.5 .
C21 C20 C22 111.53(18) .
C21 C20 P2 110.33(13) .
C22 C20 P2 110.68(14) .
C21 C20 H20A 108.1 .
C22 C20 H20A 108.1 .
P2 C20 H20A 108.1 .
C20 C21 H21A 109.5 .
C20 C21 H21B 109.5 .
H21A C21 H21B 109.5 .
C20 C21 H21C 109.5 .
H21A C21 H21C 109.5 .
H21B C21 H21C 109.5 .
C20 C22 H22A 109.5 .
C20 C22 H22B 109.5 .
H22A C22 H22B 109.5 .
C20 C22 H22C 109.5 .
H22A C22 H22C 109.5 .
H22B C22 H22C 109.5 .
P3 C23 H23A 109.5 .
P3 C23 H23B 109.5 .
H23A C23 H23B 109.5 .
P3 C23 H23C 109.5 .
H23A C23 H23C 109.5 .
H23B C23 H23C 109.5 .
P3 C24 H24A 109.5 .
P3 C24 H24B 109.5 .
H24A C24 H24B 109.5 .
P3 C24 H24C 109.5 .
H24A C24 H24C 109.5 .
H24B C24 H24C 109.5 .
P3 C25 H25A 109.5 .
P3 C25 H25B 109.5 .
H25A C25 H25B 109.5 .
P3 C25 H25C 109.5 .
H25A C25 H25C 109.5 .
H25B C25 H25C 109.5 .
F3 B1 F2 110.64(19) .
F3 B1 F4 108.65(18) .
F2 B1 F4 108.6(2) .
F3 B1 F1 109.5(2) .
F2 B1 F1 109.48(18) .
F4 B1 F1 109.96(18) .
F8 B2 F6 109.8(5) .
F8 B2 F7 116.8(4) .
F6 B2 F7 109.8(4) .
F8 B2 F5 104.7(5) .
F6 B2 F5 110.6(5) .
F7 B2 F5 104.9(6) .
F8' B2' F6' 102.8(10) .
F8' B2' F7' 99.1(11) .
F6' B2' F7' 102.3(11) .
F8' B2' F5' 110.5(14) .
F6' B2' F5' 118.4(15) .
F7' B2' F5' 120.7(13) .
C26 C26 Cl1 108.7(2) 3_556
C26 C26 H26A 109.9 3_556
Cl1 C26 H26A 109.9 .
C26 C26 H26B 109.9 3_556
Cl1 C26 H26B 109.9 .
H26A C26 H26B 108.3 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 C4 2.051(2) .
Fe1 C8 2.0554(19) .
Fe1 C3 2.066(2) .
Fe1 C9 2.067(2) .
Fe1 C2 2.072(2) .
Fe1 C5 2.073(2) .
Fe1 C10 2.073(2) .
Fe1 C7 2.0771(19) .
Fe1 C1 2.1040(19) .
Fe1 C6 2.1147(19) .
Fe1 Pd1 3.0168(4) .
Pd1 P3 2.2590(5) .
Pd1 P1 2.2919(5) .
Pd1 P2 2.2928(5) .
P1 C1 1.7840(19) .
P1 C14 1.837(2) .
P1 C11 1.846(2) .
P2 C6 1.787(2) .
P2 C20 1.8357(19) .
P2 C17 1.837(2) .
P3 C25 1.801(2) .
P3 C23 1.804(2) .
P3 C24 1.816(2) .
C1 C5 1.427(3) .
C1 C2 1.447(3) .
C2 C3 1.410(3) .
C2 H2A 1.0000 .
C3 C4 1.411(3) .
C3 H3A 1.0000 .
C4 C5 1.414(3) .
C4 H4A 1.0000 .
C5 H5A 1.0000 .
C6 C7 1.432(3) .
C6 C10 1.448(3) .
C7 C8 1.413(3) .
C7 H7A 1.0000 .
C8 C9 1.421(3) .
C8 H8A 1.0000 .
C9 C10 1.411(3) .
C9 H9A 1.0000 .
C10 H10A 1.0000 .
C11 C13 1.521(3) .
C11 C12 1.530(3) .
C11 H11A 1.0000 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 C16 1.531(3) .
C14 C15 1.533(3) .
C14 H14A 1.0000 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18 1.534(3) .
C17 C19 1.537(3) .
C17 H17A 1.0000 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 C21 1.531(3) .
C20 C22 1.532(3) .
C20 H20A 1.0000 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
B1 F3 1.384(3) .
B1 F2 1.384(3) .
B1 F4 1.385(3) .
B1 F1 1.396(3) .
B2 F8 1.379(5) .
B2 F6 1.391(6) .
B2 F7 1.405(6) .
B2 F5 1.433(7) .
B2' F8' 1.363(13) .
B2' F6' 1.372(12) .
B2' F7' 1.377(13) .
B2' F5' 1.378(13) .
Cl1 C26 1.795(2) .
C26 C26 1.502(4) 3_556
C26 H26A 0.9900 .
C26 H26B 0.9900 .
