#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:21:42 +0100 (vie 25 de mar de 2016) $
#$Revision: 179812 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/08/7010857.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_7010857
loop_
_publ_author_name
'Yew Chin Neo'
'Jagadese J. Vittal'
'T. S. Andy Hor'
_publ_section_title
;
 Pd(O2CCF2CF3-O)2(dppf) and PdAg(μ-O2CCF2CF3)2(O2CCF2CF3-O)(dppf)
 [dppf = 1,1'-bis(diphenylphosphino)ferrocene]: A stable Pd(II)
 phosphine carboxylate as a precursor to heterobimetallic carboxylates
;
_journal_issue                   3
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              337
_journal_page_last               342
_journal_paper_doi               10.1039/b104539n
_journal_year                    2002
_chemical_formula_sum            'C40 H28 F10 Fe O4 P2 Pd'
_chemical_formula_weight         986.81
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.990(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.7763(10)
_cell_length_b                   20.9449(15)
_cell_length_c                   15.5108(12)
_cell_measurement_reflns_used    2648
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      22.45
_cell_measurement_theta_min      2.4
_cell_volume                     3875.2(5)
_computing_cell_refinement       'Bruker AXS, SAINT'
_computing_data_collection       'Bruker AXS, SMART'
_computing_data_reduction        'Bruker AXS, SAINT'
_computing_molecular_graphics    'Bruker AXS, SHELXTL'
_computing_publication_material  'Bruker AXS, SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_method       '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  0.1131
_diffrn_reflns_av_sigmaI/netI    0.1681
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            32140
_diffrn_reflns_theta_full        30.05
_diffrn_reflns_theta_max         30.05
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    1.011
_exptl_absorpt_correction_T_max  0.9877
_exptl_absorpt_correction_T_min  0.6807
_exptl_absorpt_correction_type   'sadabs (Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.691
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       'rectangular plate, cut'
_exptl_crystal_F_000             1968
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.902
_refine_diff_density_min         -1.294
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.824
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         11255
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      0.826
_refine_ls_R_factor_all          0.1192
_refine_ls_R_factor_gt           0.0565
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0120P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0817
_refine_ls_wR_factor_ref         0.0930
_reflns_number_gt                5609
_reflns_number_total             11255
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b104539n.txt
_cod_data_source_block           187
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7010857
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.25938(3) 0.249756(15) 0.45980(2) 0.02387(8) Uani 1 1 d . . .
Fe1 Fe 0.17110(5) 0.10553(3) 0.26377(4) 0.03425(17) Uani 1 1 d . . .
C1 C 0.0768(4) 0.1801(2) 0.2722(3) 0.0336(11) Uani 1 1 d . . .
C2 C 0.1541(4) 0.1985(2) 0.2279(3) 0.0360(11) Uani 1 1 d . . .
H2 H 0.2131 0.2315 0.2506 0.043 Uiso 1 1 calc R . .
C3 C 0.1320(4) 0.1621(2) 0.1482(3) 0.0436(12) Uani 1 1 d . . .
H3 H 0.1741 0.1641 0.1057 0.052 Uiso 1 1 calc R . .
C4 C 0.0422(4) 0.1211(2) 0.1397(3) 0.0528(14) Uani 1 1 d . . .
H4 H 0.0112 0.0889 0.0904 0.063 Uiso 1 1 calc R . .
C5 C 0.0069(4) 0.1306(2) 0.2148(3) 0.0401(12) Uani 1 1 d . . .
H5 H -0.0548 0.1079 0.2262 0.048 Uiso 1 1 calc R . .
C6 C 0.3347(4) 0.07951(19) 0.3113(3) 0.0370(11) Uani 1 1 d . . .
H6 H 0.3957 0.1016 0.2980 0.044 Uiso 1 1 calc R . .
C7 C 0.2698(4) 0.0291(2) 0.2602(4) 0.0482(13) Uani 1 1 d . . .
H7 H 0.2763 0.0102 0.2037 0.058 Uiso 1 1 calc R . .
C8 C 0.1910(4) 0.0112(2) 0.3001(3) 0.0449(13) Uani 1 1 d . . .
H8 H 0.1335 -0.0226 0.2773 0.054 Uiso 1 1 calc R . .
C9 C 0.2074(4) 0.05047(18) 0.3768(3) 0.0368(11) Uani 1 1 d . . .
H9 H 0.1642 0.0486 0.4185 0.044 Uiso 1 1 calc R . .
C10 C 0.2987(4) 0.09321(18) 0.3858(3) 0.0316(10) Uani 1 1 d . . .
O1 O 0.1925(2) 0.34028(12) 0.4580(2) 0.0306(7) Uani 1 1 d . . .
O2 O 0.1977(3) 0.35548(15) 0.3172(2) 0.0558(10) Uani 1 1 d . . .
C11 C 0.1820(4) 0.3720(2) 0.3854(3) 0.0336(11) Uani 1 1 d . . .
C12 C 0.1477(5) 0.4418(2) 0.3928(4) 0.0482(14) Uani 1 1 d . . .
F1 F 0.1060(3) 0.46868(13) 0.3100(2) 0.1025(15) Uani 1 1 d D . .
F2 F 0.0628(3) 0.44480(14) 0.4274(3) 0.0977(14) Uani 1 1 d D . .
C13 C 0.2365(6) 0.4831(2) 0.4539(5) 0.0689(18) Uani 1 1 d . . .
F3 F 0.2027(3) 0.54347(13) 0.4520(3) 0.0902(12) Uani 1 1 d D . .
F4 F 0.2768(4) 0.46387(15) 0.5384(3) 0.1141(17) Uani 1 1 d D . .
F5 F 0.3220(3) 0.48312(17) 0.4253(4) 0.1210(18) Uani 1 1 d D . .
O3 O 0.4132(3) 0.29306(14) 0.5233(2) 0.0453(9) Uani 1 1 d . . .
O4 O 0.3858(3) 0.31189(16) 0.6549(3) 0.0578(10) Uani 1 1 d . . .
C14 C 0.4332(4) 0.3171(2) 0.5978(4) 0.0464(13) Uani 1 1 d . . .
F6 F 0.5506(3) 0.38861(18) 0.7096(3) 0.1035(14) Uani 1 1 d D . .
F7 F 0.5225(3) 0.41120(15) 0.5701(3) 0.1160(17) Uani 1 1 d D . .
C15 C 0.5369(4) 0.3633(2) 0.6266(4) 0.0542(16) Uani 1 1 d . . .
C16 C 0.6467(5) 0.3314(3) 0.6367(5) 0.0654(17) Uani 1 1 d . . .
F8 F 0.7327(3) 0.36625(18) 0.6838(3) 0.1126(15) Uani 1 1 d D . .
F9 F 0.6541(3) 0.3175(2) 0.5591(3) 0.1288(18) Uani 1 1 d D . .
F10 F 0.6522(3) 0.27637(19) 0.6806(3) 0.1107(15) Uani 1 1 d D . .
P1 P 0.08665(9) 0.21126(5) 0.38162(8) 0.0256(3) Uani 1 1 d . . .
P2 P 0.35143(9) 0.15577(5) 0.47053(8) 0.0275(3) Uani 1 1 d . . .
C1A C -0.0243(3) 0.27026(18) 0.3564(3) 0.0292(10) Uani 1 1 d . . .
C2A C -0.0740(4) 0.2953(2) 0.2682(4) 0.0499(14) Uani 1 1 d . . .
H2A H -0.0482 0.2832 0.2209 0.060 Uiso 1 1 calc R . .
C3A C -0.1609(5) 0.3379(2) 0.2504(5) 0.0690(19) Uani 1 1 d . . .
H3A H -0.1931 0.3553 0.1908 0.083 Uiso 1 1 calc R . .
C4A C -0.2017(5) 0.3555(2) 0.3170(5) 0.069(2) Uani 1 1 d . . .
H4A H -0.2625 0.3839 0.3028 0.082 Uiso 1 1 calc R . .
C5A C -0.1529(4) 0.3313(2) 0.4061(5) 0.0603(16) Uani 1 1 d . . .
H5A H -0.1793 0.3436 0.4529 0.072 Uiso 1 1 calc R . .
C6A C -0.0634(4) 0.2881(2) 0.4244(4) 0.0445(13) Uani 1 1 d . . .
H6A H -0.0298 0.2712 0.4842 0.053 Uiso 1 1 calc R . .
C1B C 0.0441(3) 0.15320(18) 0.4491(3) 0.0283(10) Uani 1 1 d . . .
C2B C -0.0536(4) 0.1162(2) 0.4113(3) 0.0362(11) Uani 1 1 d . . .
H2B H -0.0981 0.1201 0.3485 0.043 Uiso 1 1 calc R . .
C3B C -0.0841(4) 0.0742(2) 0.4669(4) 0.0438(13) Uani 1 1 d . . .
H3B H -0.1475 0.0481 0.4413 0.053 Uiso 1 1 calc R . .
C4B C -0.0218(4) 0.0706(2) 0.5594(4) 0.0480(13) Uani 1 1 d . . .
H4B H -0.0429 0.0418 0.5968 0.058 Uiso 1 1 calc R . .
C5B C 0.0703(4) 0.1081(2) 0.5977(3) 0.0461(13) Uani 1 1 d . . .
H5B H 0.1110 0.1062 0.6615 0.055 Uiso 1 1 calc R . .
C6B C 0.1037(4) 0.1490(2) 0.5426(3) 0.0347(11) Uani 1 1 d . . .
H6B H 0.1680 0.1744 0.5692 0.042 Uiso 1 1 calc R . .
C1C C 0.3818(4) 0.11515(19) 0.5804(3) 0.0333(11) Uani 1 1 d . . .
C2C C 0.3949(4) 0.0493(2) 0.5869(4) 0.0474(13) Uani 1 1 d . . .
H2C H 0.3882 0.0251 0.5341 0.057 Uiso 1 1 calc R . .
C3C C 0.4180(5) 0.0195(2) 0.6713(4) 0.0685(18) Uani 1 1 d . . .
H3C H 0.4242 -0.0252 0.6752 0.082 Uiso 1 1 calc R . .
C4C C 0.4319(5) 0.0544(3) 0.7485(4) 0.0609(16) Uani 1 1 d . . .
H4C H 0.4491 0.0338 0.8058 0.073 Uiso 1 1 calc R . .
C5C C 0.4209(4) 0.1198(2) 0.7432(4) 0.0535(14) Uani 1 1 d . . .
H5C H 0.4300 0.1438 0.7966 0.064 Uiso 1 1 calc R . .
C6C C 0.3965(4) 0.1499(2) 0.6589(3) 0.0431(12) Uani 1 1 d . . .
H6C H 0.3899 0.1946 0.6554 0.052 Uiso 1 1 calc R . .
C1D C 0.4845(4) 0.1718(2) 0.4587(3) 0.0336(11) Uani 1 1 d . . .
C2D C 0.5792(4) 0.1368(2) 0.5068(4) 0.0480(13) Uani 1 1 d . . .
H2D H 0.5768 0.1068 0.5511 0.058 Uiso 1 1 calc R . .
C3D C 0.6773(5) 0.1460(3) 0.4899(4) 0.0658(17) Uani 1 1 d . . .
H3D H 0.7413 0.1218 0.5225 0.079 Uiso 1 1 calc R . .
C4D C 0.6820(4) 0.1892(3) 0.4272(4) 0.0650(17) Uani 1 1 d . . .
H4D H 0.7493 0.1951 0.4165 0.078 Uiso 1 1 calc R . .
C5D C 0.5881(4) 0.2254(2) 0.3779(4) 0.0532(14) Uani 1 1 d . . .
H5D H 0.5919 0.2555 0.3343 0.064 Uiso 1 1 calc R . .
C6D C 0.4896(4) 0.2166(2) 0.3935(3) 0.0419(12) Uani 1 1 d . . .
H6D H 0.4258 0.2407 0.3604 0.050 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'
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 Pd1 O1 85.53(11) . . ?
O3 Pd1 P1 174.29(10) . . ?
O1 Pd1 P1 90.03(8) . . ?
O3 Pd1 P2 88.08(9) . . ?
O1 Pd1 P2 173.59(8) . . ?
P1 Pd1 P2 96.38(4) . . ?
C1 Fe1 C9 110.27(18) . . ?
C1 Fe1 C2 42.04(17) . . ?
C9 Fe1 C2 139.79(18) . . ?
C1 Fe1 C10 109.87(17) . . ?
C9 Fe1 C10 41.76(16) . . ?
C2 Fe1 C10 110.63(16) . . ?
C1 Fe1 C6 138.71(17) . . ?
C9 Fe1 C6 69.06(19) . . ?
C2 Fe1 C6 110.83(18) . . ?
C10 Fe1 C6 40.97(17) . . ?
C1 Fe1 C5 42.03(16) . . ?
C9 Fe1 C5 111.09(19) . . ?
C2 Fe1 C5 69.58(18) . . ?
C10 Fe1 C5 139.63(18) . . ?
C6 Fe1 C5 179.22(18) . . ?
C1 Fe1 C8 138.9(2) . . ?
C9 Fe1 C8 40.37(17) . . ?
C2 Fe1 C8 179.0(2) . . ?
C10 Fe1 C8 68.91(17) . . ?
C6 Fe1 C8 68.26(18) . . ?
C5 Fe1 C8 111.33(19) . . ?
C1 Fe1 C7 177.97(19) . . ?
C9 Fe1 C7 67.9(2) . . ?
C2 Fe1 C7 138.9(2) . . ?
C10 Fe1 C7 68.22(18) . . ?
C6 Fe1 C7 40.17(16) . . ?
C5 Fe1 C7 139.10(18) . . ?
C8 Fe1 C7 40.20(18) . . ?
C1 Fe1 C3 69.12(18) . . ?
C9 Fe1 C3 179.3(2) . . ?
C2 Fe1 C3 39.98(16) . . ?
C10 Fe1 C3 138.72(18) . . ?
C6 Fe1 C3 111.7(2) . . ?
C5 Fe1 C3 68.19(19) . . ?
C8 Fe1 C3 139.87(19) . . ?
C7 Fe1 C3 112.7(2) . . ?
C1 Fe1 C4 68.88(18) . . ?
C9 Fe1 C4 139.7(2) . . ?
C2 Fe1 C4 67.56(19) . . ?
C10 Fe1 C4 178.19(18) . . ?
C6 Fe1 C4 139.2(2) . . ?
C5 Fe1 C4 40.20(19) . . ?
C8 Fe1 C4 112.9(2) . . ?
C7 Fe1 C4 113.1(2) . . ?
C3 Fe1 C4 39.79(18) . . ?
C2 C1 C5 106.0(4) . . ?
C2 C1 P1 121.9(3) . . ?
C5 C1 P1 131.8(4) . . ?
C2 C1 Fe1 69.4(3) . . ?
C5 C1 Fe1 69.9(3) . . ?
P1 C1 Fe1 120.6(2) . . ?
C3 C2 C1 108.7(4) . . ?
C3 C2 Fe1 71.6(3) . . ?
C1 C2 Fe1 68.6(2) . . ?
C2 C3 C4 108.5(4) . . ?
C2 C3 Fe1 68.5(3) . . ?
C4 C3 Fe1 70.3(3) . . ?
C3 C4 C5 109.3(4) . . ?
C3 C4 Fe1 69.9(3) . . ?
C5 C4 Fe1 68.6(3) . . ?
C4 C5 C1 107.5(4) . . ?
C4 C5 Fe1 71.2(3) . . ?
C1 C5 Fe1 68.1(2) . . ?
C7 C6 C10 108.4(4) . . ?
C7 C6 Fe1 70.9(3) . . ?
C10 C6 Fe1 69.4(3) . . ?
C6 C7 C8 108.8(5) . . ?
C6 C7 Fe1 68.9(3) . . ?
C8 C7 Fe1 69.6(3) . . ?
C9 C8 C7 107.8(4) . . ?
C9 C8 Fe1 68.4(2) . . ?
C7 C8 Fe1 70.2(3) . . ?
C8 C9 C10 108.5(4) . . ?
C8 C9 Fe1 71.2(3) . . ?
C10 C9 Fe1 69.7(2) . . ?
C6 C10 C9 106.5(4) . . ?
C6 C10 P2 126.5(3) . . ?
C9 C10 P2 126.9(3) . . ?
C6 C10 Fe1 69.6(3) . . ?
C9 C10 Fe1 68.6(2) . . ?
P2 C10 Fe1 123.6(2) . . ?
C11 O1 Pd1 113.6(3) . . ?
O2 C11 O1 129.4(4) . . ?
O2 C11 C12 118.8(5) . . ?
O1 C11 C12 111.8(4) . . ?
F1 C12 F2 105.0(4) . . ?
F1 C12 C13 108.9(5) . . ?
F2 C12 C13 104.8(5) . . ?
F1 C12 C11 110.9(4) . . ?
F2 C12 C11 110.9(4) . . ?
C13 C12 C11 115.6(4) . . ?
F4 C13 F5 105.3(6) . . ?
F4 C13 F3 109.1(5) . . ?
F5 C13 F3 107.1(5) . . ?
F4 C13 C12 113.9(5) . . ?
F5 C13 C12 108.9(6) . . ?
F3 C13 C12 112.0(5) . . ?
C14 O3 Pd1 118.8(4) . . ?
O3 C14 O4 131.2(5) . . ?
O3 C14 C15 113.5(5) . . ?
O4 C14 C15 115.3(5) . . ?
F7 C15 F6 106.2(4) . . ?
F7 C15 C16 108.2(6) . . ?
F6 C15 C16 106.2(5) . . ?
F7 C15 C14 112.4(4) . . ?
F6 C15 C14 108.8(5) . . ?
C16 C15 C14 114.5(4) . . ?
F9 C16 F8 109.0(6) . . ?
F9 C16 F10 106.2(6) . . ?
F8 C16 F10 108.6(6) . . ?
F9 C16 C15 112.6(6) . . ?
F8 C16 C15 112.1(5) . . ?
F10 C16 C15 108.2(5) . . ?
C1 P1 C1B 111.79(19) . . ?
C1 P1 C1A 105.2(2) . . ?
C1B P1 C1A 102.05(19) . . ?
C1 P1 Pd1 111.43(15) . . ?
C1B P1 Pd1 111.64(14) . . ?
C1A P1 Pd1 114.29(13) . . ?
C1D P2 C10 100.4(2) . . ?
C1D P2 C1C 106.9(2) . . ?
C10 P2 C1C 104.0(2) . . ?
C1D P2 Pd1 108.24(14) . . ?
C10 P2 Pd1 121.85(14) . . ?
C1C P2 Pd1 113.94(15) . . ?
C6A C1A C2A 119.4(4) . . ?
C6A C1A P1 119.5(3) . . ?
C2A C1A P1 121.0(4) . . ?
C3A C2A C1A 119.7(5) . . ?
C4A C3A C2A 121.7(6) . . ?
C3A C4A C5A 119.8(5) . . ?
C4A C5A C6A 118.5(6) . . ?
C1A C6A C5A 120.9(5) . . ?
C6B C1B C2B 118.5(4) . . ?
C6B C1B P1 118.9(3) . . ?
C2B C1B P1 122.4(3) . . ?
C3B C2B C1B 119.8(4) . . ?
C4B C3B C2B 120.1(4) . . ?
C5B C4B C3B 120.7(5) . . ?
C4B C5B C6B 119.9(5) . . ?
C1B C6B C5B 120.9(4) . . ?
C6C C1C C2C 119.2(4) . . ?
C6C C1C P2 120.0(3) . . ?
C2C C1C P2 120.8(4) . . ?
C3C C2C C1C 119.7(5) . . ?
C4C C3C C2C 120.5(5) . . ?
C3C C4C C5C 120.3(5) . . ?
C4C C5C C6C 119.6(5) . . ?
C1C C6C C5C 120.7(4) . . ?
C2D C1D C6D 119.2(5) . . ?
C2D C1D P2 121.3(4) . . ?
C6D C1D P2 119.2(3) . . ?
C1D C2D C3D 120.1(5) . . ?
C4D C3D C2D 120.5(5) . . ?
C3D C4D C5D 120.6(5) . . ?
C6D C5D C4D 119.6(5) . . ?
C5D C6D C1D 119.9(5) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 O3 2.065(3) . ?
Pd1 O1 2.076(3) . ?
Pd1 P1 2.2525(11) . ?
Pd1 P2 2.2685(11) . ?
Fe1 C1 2.004(4) . ?
Fe1 C9 2.009(4) . ?
Fe1 C2 2.016(4) . ?
Fe1 C10 2.024(4) . ?
Fe1 C6 2.026(4) . ?
Fe1 C5 2.028(5) . ?
Fe1 C8 2.045(4) . ?
Fe1 C7 2.052(5) . ?
Fe1 C3 2.056(5) . ?
Fe1 C4 2.061(5) . ?
C1 C2 1.442(6) . ?
C1 C5 1.446(5) . ?
C1 P1 1.781(5) . ?
C2 C3 1.393(6) . ?
C3 C4 1.401(6) . ?
C4 C5 1.406(7) . ?
C6 C7 1.401(6) . ?
C6 C10 1.418(6) . ?
C7 C8 1.408(6) . ?
C8 C9 1.399(6) . ?
C9 C10 1.437(5) . ?
C10 P2 1.806(4) . ?
O1 C11 1.272(5) . ?
O2 C11 1.197(5) . ?
C11 C12 1.543(6) . ?
C12 F1 1.327(6) . ?
C12 F2 1.373(6) . ?
C12 C13 1.471(8) . ?
C13 F4 1.290(7) . ?
C13 F5 1.318(7) . ?
C13 F3 1.332(6) . ?
O3 C14 1.201(6) . ?
O4 C14 1.245(6) . ?
C14 C15 1.572(7) . ?
F6 C15 1.345(6) . ?
F7 C15 1.301(6) . ?
C15 C16 1.510(8) . ?
C16 F9 1.273(7) . ?
C16 F8 1.303(6) . ?
C16 F10 1.329(7) . ?
P1 C1B 1.810(4) . ?
P1 C1A 1.815(4) . ?
P2 C1D 1.806(5) . ?
P2 C1C 1.818(4) . ?
C1A C6A 1.371(6) . ?
C1A C2A 1.389(6) . ?
C2A C3A 1.372(7) . ?
C3A C4A 1.364(9) . ?
C4A C5A 1.392(8) . ?
C5A C6A 1.406(6) . ?
C1B C6B 1.379(6) . ?
C1B C2B 1.406(5) . ?
C2B C3B 1.382(6) . ?
C3B C4B 1.371(6) . ?
C4B C5B 1.362(6) . ?
C5B C6B 1.382(6) . ?
C1C C6C 1.373(6) . ?
C1C C2C 1.389(5) . ?
C2C C3C 1.383(7) . ?
C3C C4C 1.360(7) . ?
C4C C5C 1.376(6) . ?
C5C C6C 1.382(6) . ?
C1D C2D 1.383(6) . ?
C1D C6D 1.397(6) . ?
C2D C3D 1.383(7) . ?
C3D C4D 1.347(8) . ?
C4D C5D 1.392(7) . ?
C5D C6D 1.377(6) . ?
