#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:09:44 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180063 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/09/7050917.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_7050917
loop_
_publ_author_name
'Xavier Sava'
'Mohand Melaimi'
'Nicolas Mézailles'
'Louis Ricard'
'François Mathey'
'Pascal Le Floch'
_publ_section_title
;
 Cationic diphosphaferrocene gallium dichloride complexes
;
_journal_issue                   10
_journal_name_full               'New J. Chem.'
_journal_page_first              1378
_journal_page_last               1383
_journal_paper_doi               10.1039/b204075c
_journal_volume                  26
_journal_year                    2002
_chemical_formula_sum            'C32 H56 Fe P2'
_chemical_formula_weight         558.56
_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                 91.310(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.759(5)
_cell_length_b                   17.551(5)
_cell_length_c                   9.964(5)
_cell_measurement_reflns_used    639
_cell_measurement_temperature    223.0(1)
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      3.0
_cell_volume                     3280(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223.0(1)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  KappaCCD
_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     0.71069
_diffrn_reflns_av_R_equivalents  0.0221
_diffrn_reflns_av_sigmaI/netI    0.0482
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            12676
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    0.575
_exptl_absorpt_correction_T_max  0.9448
_exptl_absorpt_correction_T_min  0.8937
_exptl_crystal_colour            vermilion
_exptl_crystal_density_diffrn    1.131
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.332
_refine_diff_density_min         -0.340
_refine_diff_density_rms         0.043
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         7512
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0374
_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)+(0.0367P)²+0.9964P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0911
_refine_ls_wR_factor_ref         0.0986
_reflns_number_gt                5770
_reflns_number_total             7512
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b204075c.txt
_cod_data_source_block           feppr
_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               7050917
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 0.5000 0.0000 0.5000 0.02547(9) Uani 1 2 d S . .
P1 P 0.47681(3) -0.10700(3) 0.37387(5) 0.03403(12) Uani 1 1 d . . .
C1 C 0.56589(9) -0.08548(9) 0.42463(17) 0.0304(4) Uani 1 1 d . . .
C2 C 0.57479(9) -0.07867(9) 0.56638(17) 0.0295(4) Uani 1 1 d . . .
C3 C 0.50919(9) -0.08941(9) 0.63506(17) 0.0298(4) Uani 1 1 d . . .
C4 C 0.45103(9) -0.10421(10) 0.54429(17) 0.0310(4) Uani 1 1 d . . .
C5 C 0.62530(10) -0.07839(10) 0.32582(19) 0.0368(4) Uani 1 1 d . . .
H5A H 0.6623 -0.0449 0.3638 0.044 Uiso 1 1 calc R . .
H5B H 0.6065 -0.0545 0.2434 0.044 Uiso 1 1 calc R . .
C6 C 0.65867(10) -0.15451(11) 0.2906(2) 0.0419(5) Uani 1 1 d . . .
H6A H 0.6769 -0.1788 0.3731 0.050 Uiso 1 1 calc R . .
H6B H 0.6218 -0.1878 0.2512 0.050 Uiso 1 1 calc R . .
C7 C 0.71892(12) -0.14688(13) 0.1931(2) 0.0591(6) Uani 1 1 d . . .
H7A H 0.7011 -0.1239 0.1104 0.089 Uiso 1 1 calc R . .
H7B H 0.7382 -0.1969 0.1741 0.089 Uiso 1 1 calc R . .
H7C H 0.7561 -0.1149 0.2324 0.089 Uiso 1 1 calc R . .
C8 C 0.64508(9) -0.06354(10) 0.63819(19) 0.0368(4) Uani 1 1 d . . .
H8A H 0.6362 -0.0344 0.7201 0.044 Uiso 1 1 calc R . .
H8B H 0.6748 -0.0321 0.5805 0.044 Uiso 1 1 calc R . .
C9 C 0.68548(12) -0.13521(13) 0.6753(3) 0.0576(6) Uani 1 1 d . . .
H9A H 0.6530 -0.1703 0.7200 0.069 Uiso 1 1 calc R . .
H9B H 0.7010 -0.1599 0.5928 0.069 Uiso 1 1 calc R . .
C10 C 0.74960(12) -0.12228(16) 0.7657(2) 0.0649(7) Uani 1 1 d . . .
H10A H 0.7830 -0.0891 0.7212 0.097 Uiso 1 1 calc R . .
H10B H 0.7724 -0.1707 0.7857 0.097 Uiso 1 1 calc R . .
H10C H 0.7348 -0.0987 0.8485 0.097 Uiso 1 1 calc R . .
C11 C 0.50318(10) -0.08689(11) 0.78549(17) 0.0387(4) Uani 1 1 d . . .
H11A H 0.4570 -0.0648 0.8078 0.046 Uiso 1 1 calc R . .
H11B H 0.5405 -0.0534 0.8226 0.046 Uiso 1 1 calc R . .
C12 C 0.51004(15) -0.16459(14) 0.8512(2) 0.0629(7) Uani 1 1 d . . .
H12A H 0.4672 -0.1944 0.8287 0.076 Uiso 1 1 calc R . .
H12B H 0.5509 -0.1911 0.8133 0.076 Uiso 1 1 calc R . .
C13 C 0.51948(15) -0.16235(18) 1.0002(2) 0.0811(9) Uani 1 1 d . . .
H13A H 0.5628 -0.1347 1.0238 0.122 Uiso 1 1 calc R . .
H13B H 0.5229 -0.2139 1.0347 0.122 Uiso 1 1 calc R . .
H13C H 0.4789 -0.1370 1.0391 0.122 Uiso 1 1 calc R . .
C14 C 0.37595(9) -0.12049(11) 0.5858(2) 0.0401(4) Uani 1 1 d . . .
H14A H 0.3426 -0.0977 0.5202 0.048 Uiso 1 1 calc R . .
H14B H 0.3679 -0.0965 0.6730 0.048 Uiso 1 1 calc R . .
C15 C 0.36079(11) -0.20561(11) 0.5961(2) 0.0502(5) Uani 1 1 d . . .
H15A H 0.3623 -0.2282 0.5063 0.060 Uiso 1 1 calc R . .
H15B H 0.3984 -0.2296 0.6515 0.060 Uiso 1 1 calc R . .
C16 C 0.28953(13) -0.22258(14) 0.6560(3) 0.0764(8) Uani 1 1 d . . .
H16A H 0.2881 -0.2014 0.7458 0.115 Uiso 1 1 calc R . .
H16B H 0.2826 -0.2773 0.6601 0.115 Uiso 1 1 calc R . .
H16C H 0.2520 -0.2000 0.6006 0.115 Uiso 1 1 calc R . .
Fe2 Fe 0.0000 -0.5000 0.5000 0.02662(10) Uani 1 2 d S . .
P2 P -0.02620(3) -0.41960(3) 0.32354(5) 0.03792(13) Uani 1 1 d . A .
C17 C 0.06108(9) -0.45720(10) 0.34235(18) 0.0333(4) Uani 1 1 d . . .
C18 C 0.09327(9) -0.44064(9) 0.47018(17) 0.0297(4) Uani 1 1 d . . .
C19 C 0.04652(9) -0.39773(9) 0.55417(18) 0.0307(4) Uani 1 1 d . A .
C20 C -0.02025(9) -0.38259(9) 0.48858(19) 0.0342(4) Uani 1 1 d . . .
C21 C 0.09633(12) -0.49846(10) 0.2295(2) 0.0433(5) Uani 1 1 d . . .
H21A H 0.0619 -0.5333 0.1869 0.052 Uiso 1 1 calc R . .
H21B H 0.1359 -0.5291 0.2662 0.052 Uiso 1 1 calc R . .
C22 C 0.12454(13) -0.44418(13) 0.1241(2) 0.0559(6) Uani 1 1 d . . .
H22A H 0.0845 -0.4152 0.0850 0.067 Uiso 1 1 calc R . .
H22B H 0.1572 -0.4078 0.1679 0.067 Uiso 1 1 calc R . .
C23 C 0.16315(15) -0.48407(15) 0.0127(2) 0.0701(7) Uani 1 1 d . . .
H23A H 0.2023 -0.5137 0.0506 0.105 Uiso 1 1 calc R . .
H23B H 0.1816 -0.4465 -0.0489 0.105 Uiso 1 1 calc R . .
H23C H 0.1303 -0.5177 -0.0352 0.105 Uiso 1 1 calc R . .
C24 C 0.16788(9) -0.46504(10) 0.5115(2) 0.0373(4) Uani 1 1 d . . .
H24A H 0.1768 -0.5159 0.4750 0.045 Uiso 1 1 calc R . .
H24B H 0.1709 -0.4687 0.6096 0.045 Uiso 1 1 calc R . .
C25 C 0.22592(10) -0.41130(12) 0.4645(2) 0.0480(5) Uani 1 1 d . . .
H25A H 0.2250 -0.4102 0.3662 0.058 Uiso 1 1 calc R . .
H25B H 0.2154 -0.3597 0.4962 0.058 Uiso 1 1 calc R . .
C26 C 0.30003(10) -0.43344(14) 0.5135(3) 0.0642(7) Uani 1 1 d . . .
H26A H 0.3025 -0.4311 0.6107 0.096 Uiso 1 1 calc R . .
H26B H 0.3346 -0.3985 0.4767 0.096 Uiso 1 1 calc R . .
H26C H 0.3105 -0.4849 0.4843 0.096 Uiso 1 1 calc R . .
C27 C 0.06586(10) -0.37199(10) 0.69437(18) 0.0365(4) Uani 1 1 d . . .
H27A H 0.0996 -0.4085 0.7344 0.044 Uiso 1 1 calc R A .
H27B H 0.0228 -0.3726 0.7483 0.044 Uiso 1 1 calc R . .
C28 C 0.09854(12) -0.29313(12) 0.7016(2) 0.0502(5) Uani 1 1 d . A .
H28A H 0.1398 -0.2915 0.6430 0.060 Uiso 1 1 calc R . .
H28B H 0.0636 -0.2561 0.6673 0.060 Uiso 1 1 calc R . .
C29 C 0.12195(13) -0.27015(13) 0.8406(2) 0.0624(7) Uani 1 1 d . . .
H29A H 0.0826 -0.2764 0.9011 0.094 Uiso 1 1 calc R A .
H29B H 0.1369 -0.2172 0.8403 0.094 Uiso 1 1 calc R . .
H29C H 0.1615 -0.3020 0.8703 0.094 Uiso 1 1 calc R . .
C30 C -0.0780(5) -0.3356(6) 0.5316(6) 0.0332(14) Uani 0.62 1 d P A 1
H30A H -0.0754 -0.3314 0.6296 0.040 Uiso 0.62 1 calc PR A 1
H30B H -0.1231 -0.3607 0.5072 0.040 Uiso 0.62 1 calc PR A 1
C31 C -0.0782(2) -0.2561(2) 0.4720(5) 0.0479(9) Uani 0.62 1 d P A 1
H31A H -0.0340 -0.2303 0.4995 0.058 Uiso 0.62 1 calc PR A 1
H31B H -0.0788 -0.2603 0.3739 0.058 Uiso 0.62 1 calc PR A 1
C32 C -0.1408(2) -0.2078(2) 0.5130(5) 0.0621(10) Uani 0.62 1 d P A 1
H32A H -0.1849 -0.2330 0.4866 0.093 Uiso 0.62 1 calc PR A 1
H32B H -0.1383 -0.1585 0.4693 0.093 Uiso 0.62 1 calc PR A 1
H32C H -0.1392 -0.2008 0.6096 0.093 Uiso 0.62 1 calc PR A 1
C33 C -0.0840(9) -0.3400(9) 0.5733(10) 0.033(2) Uani 0.38 1 d P A 2
H33A H -0.1305 -0.3588 0.5411 0.040 Uiso 0.38 1 calc PR A 2
H33B H -0.0787 -0.3532 0.6686 0.040 Uiso 0.38 1 calc PR A 2
C34 C -0.0817(3) -0.2536(3) 0.5582(7) 0.0439(14) Uani 0.38 1 d P A 2
H34A H -0.1153 -0.2311 0.6209 0.053 Uiso 0.38 1 calc PR A 2
H34B H -0.0338 -0.2358 0.5840 0.053 Uiso 0.38 1 calc PR A 2
C35 C -0.0994(5) -0.2255(4) 0.4213(8) 0.080(3) Uani 0.38 1 d P A 2
H35A H -0.0590 -0.2338 0.3638 0.119 Uiso 0.38 1 calc PR A 2
H35B H -0.1101 -0.1715 0.4249 0.119 Uiso 0.38 1 calc PR A 2
H35C H -0.1405 -0.2529 0.3855 0.119 Uiso 0.38 1 calc PR A 2
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'
Fe Fe 0.3463 0.8444 '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'
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
C2 Fe1 C2 180.0 3_656 . ?
C2 Fe1 C3 40.56(7) 3_656 3_656 ?
C2 Fe1 C3 139.44(7) . 3_656 ?
C2 Fe1 C3 139.44(7) 3_656 . ?
C2 Fe1 C3 40.55(7) . . ?
C3 Fe1 C3 180.00(6) 3_656 . ?
C2 Fe1 C1 40.01(7) 3_656 3_656 ?
C2 Fe1 C1 139.99(7) . 3_656 ?
C3 Fe1 C1 69.47(7) 3_656 3_656 ?
C3 Fe1 C1 110.53(7) . 3_656 ?
C2 Fe1 C1 139.99(7) 3_656 . ?
C2 Fe1 C1 40.01(7) . . ?
C3 Fe1 C1 110.53(7) 3_656 . ?
C3 Fe1 C1 69.47(7) . . ?
C1 Fe1 C1 179.998(1) 3_656 . ?
C2 Fe1 C4 69.36(7) 3_656 3_656 ?
C2 Fe1 C4 110.64(7) . 3_656 ?
C3 Fe1 C4 39.96(7) 3_656 3_656 ?
C3 Fe1 C4 140.04(7) . 3_656 ?
C1 Fe1 C4 73.49(7) 3_656 3_656 ?
C1 Fe1 C4 106.51(7) . 3_656 ?
C2 Fe1 C4 110.64(7) 3_656 . ?
C2 Fe1 C4 69.36(7) . . ?
C3 Fe1 C4 140.04(7) 3_656 . ?
C3 Fe1 C4 39.96(7) . . ?
C1 Fe1 C4 106.51(7) 3_656 . ?
C1 Fe1 C4 73.49(7) . . ?
C4 Fe1 C4 180.00(8) 3_656 . ?
C2 Fe1 P1 75.37(5) 3_656 3_656 ?
C2 Fe1 P1 104.63(5) . 3_656 ?
C3 Fe1 P1 75.40(6) 3_656 3_656 ?
C3 Fe1 P1 104.60(6) . 3_656 ?
C1 Fe1 P1 47.44(5) 3_656 3_656 ?
C1 Fe1 P1 132.56(5) . 3_656 ?
C4 Fe1 P1 47.44(5) 3_656 3_656 ?
C4 Fe1 P1 132.56(5) . 3_656 ?
C2 Fe1 P1 104.63(5) 3_656 . ?
C2 Fe1 P1 75.37(5) . . ?
C3 Fe1 P1 104.60(6) 3_656 . ?
C3 Fe1 P1 75.40(6) . . ?
C1 Fe1 P1 132.56(5) 3_656 . ?
C1 Fe1 P1 47.44(5) . . ?
C4 Fe1 P1 132.56(5) 3_656 . ?
C4 Fe1 P1 47.44(5) . . ?
P1 Fe1 P1 180.0 3_656 . ?
C1 P1 C4 89.82(8) . . ?
C1 P1 Fe1 60.31(5) . . ?
C4 P1 Fe1 60.44(6) . . ?
C2 C1 C5 124.67(16) . . ?
C2 C1 P1 112.88(12) . . ?
C5 C1 P1 122.41(13) . . ?
C2 C1 Fe1 68.95(9) . . ?
C5 C1 Fe1 128.73(12) . . ?
P1 C1 Fe1 72.25(6) . . ?
C1 C2 C3 112.33(15) . . ?
C1 C2 C8 124.51(16) . . ?
C3 C2 C8 123.15(16) . . ?
C1 C2 Fe1 71.04(9) . . ?
C3 C2 Fe1 69.93(9) . . ?
C8 C2 Fe1 127.84(12) . . ?
C4 C3 C2 111.96(15) . . ?
C4 C3 C11 124.29(16) . . ?
C2 C3 C11 123.74(15) . . ?
C4 C3 Fe1 71.02(10) . . ?
C2 C3 Fe1 69.52(9) . . ?
C11 C3 Fe1 128.11(12) . . ?
C3 C4 C14 124.62(16) . . ?
C3 C4 P1 112.98(13) . . ?
C14 C4 P1 122.31(13) . . ?
C3 C4 Fe1 69.02(9) . . ?
C14 C4 Fe1 129.83(12) . . ?
P1 C4 Fe1 72.12(6) . . ?
C1 C5 C6 113.11(15) . . ?
C7 C6 C5 112.84(16) . . ?
C2 C8 C9 113.43(15) . . ?
C10 C9 C8 114.28(19) . . ?
C3 C11 C12 113.30(16) . . ?
C13 C12 C11 114.4(2) . . ?
C4 C14 C15 112.45(15) . . ?
C16 C15 C14 112.90(18) . . ?
C19 Fe2 C19 180.0 3_546 . ?
C19 Fe2 C18 139.18(7) 3_546 . ?
C19 Fe2 C18 40.82(7) . . ?
C19 Fe2 C18 40.82(7) 3_546 3_546 ?
C19 Fe2 C18 139.18(7) . 3_546 ?
C18 Fe2 C18 180.00(8) . 3_546 ?
C19 Fe2 C20 139.97(6) 3_546 . ?
C19 Fe2 C20 40.04(6) . . ?
C18 Fe2 C20 69.48(7) . . ?
C18 Fe2 C20 110.52(7) 3_546 . ?
C19 Fe2 C20 40.04(6) 3_546 3_546 ?
C19 Fe2 C20 139.96(6) . 3_546 ?
C18 Fe2 C20 110.52(7) . 3_546 ?
C18 Fe2 C20 69.48(7) 3_546 3_546 ?
C20 Fe2 C20 180.0 . 3_546 ?
C19 Fe2 C17 110.47(7) 3_546 . ?
C19 Fe2 C17 69.53(7) . . ?
C18 Fe2 C17 40.03(6) . . ?
C18 Fe2 C17 139.97(6) 3_546 . ?
C20 Fe2 C17 73.13(7) . . ?
C20 Fe2 C17 106.87(7) 3_546 . ?
C19 Fe2 C17 69.53(7) 3_546 3_546 ?
C19 Fe2 C17 110.47(7) . 3_546 ?
C18 Fe2 C17 139.97(6) . 3_546 ?
C18 Fe2 C17 40.03(6) 3_546 3_546 ?
C20 Fe2 C17 106.87(7) . 3_546 ?
C20 Fe2 C17 73.13(7) 3_546 3_546 ?
C17 Fe2 C17 180.0 . 3_546 ?
C19 Fe2 P2 104.61(5) 3_546 . ?
C19 Fe2 P2 75.39(5) . . ?
C18 Fe2 P2 75.35(5) . . ?
C18 Fe2 P2 104.65(5) 3_546 . ?
C20 Fe2 P2 47.18(5) . . ?
C20 Fe2 P2 132.82(5) 3_546 . ?
C17 Fe2 P2 47.18(5) . . ?
C17 Fe2 P2 132.81(5) 3_546 . ?
C19 Fe2 P2 75.39(5) 3_546 3_546 ?
C19 Fe2 P2 104.61(5) . 3_546 ?
C18 Fe2 P2 104.65(5) . 3_546 ?
C18 Fe2 P2 75.35(5) 3_546 3_546 ?
C20 Fe2 P2 132.82(5) . 3_546 ?
C20 Fe2 P2 47.18(5) 3_546 3_546 ?
C17 Fe2 P2 132.81(5) . 3_546 ?
C17 Fe2 P2 47.19(5) 3_546 3_546 ?
P2 Fe2 P2 179.999(19) . 3_546 ?
C20 P2 C17 90.00(8) . . ?
C20 P2 Fe2 60.44(6) . . ?
C17 P2 Fe2 60.62(6) . . ?
C18 C17 C21 125.53(17) . . ?
C18 C17 P2 112.95(13) . . ?
C21 C17 P2 121.45(14) . . ?
C18 C17 Fe2 68.47(10) . . ?
C21 C17 Fe2 130.00(13) . . ?
P2 C17 Fe2 72.19(7) . . ?
C17 C18 C19 111.99(15) . . ?
C17 C18 C24 123.75(16) . . ?
C19 C18 C24 124.25(16) . . ?
C17 C18 Fe2 71.50(10) . . ?
C19 C18 Fe2 69.53(9) . . ?
C24 C18 Fe2 126.91(12) . . ?
C20 C19 C18 111.85(16) . . ?
C20 C19 C27 124.10(17) . . ?
C18 C19 C27 124.05(15) . . ?
C20 C19 Fe2 71.33(9) . . ?
C18 C19 Fe2 69.65(9) . . ?
C27 C19 Fe2 126.58(12) . . ?
C19 C20 C30 129.2(4) . . ?
C19 C20 C33 119.2(5) . . ?
C30 C20 C33 14.1(6) . . ?
C19 C20 P2 113.20(14) . . ?
C30 C20 P2 117.2(3) . . ?
C33 C20 P2 127.5(5) . . ?
C19 C20 Fe2 68.63(9) . . ?
C30 C20 Fe2 133.3(4) . . ?
C33 C20 Fe2 123.2(5) . . ?
P2 C20 Fe2 72.38(6) . . ?
C17 C21 C22 112.36(16) . . ?
C23 C22 C21 113.4(2) . . ?
C18 C24 C25 113.90(15) . . ?
C26 C25 C24 113.60(17) . . ?
C19 C27 C28 114.02(15) . . ?
C29 C28 C27 113.54(17) . . ?
C20 C30 C31 114.1(5) . . ?
C32 C31 C30 114.0(4) . . ?
C34 C33 C20 112.1(9) . . ?
C35 C34 C33 114.6(7) . . ?
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
Fe1 C2 2.0664(17) 3_656 ?
Fe1 C2 2.0664(17) . ?
Fe1 C3 2.0717(17) 3_656 ?
Fe1 C3 2.0718(17) . ?
Fe1 C1 2.0940(17) 3_656 ?
Fe1 C1 2.0941(17) . ?
Fe1 C4 2.0982(17) 3_656 ?
Fe1 C4 2.0982(17) . ?
Fe1 P1 2.2958(7) 3_656 ?
Fe1 P1 2.2958(7) . ?
P1 C1 1.7755(18) . ?
P1 C4 1.777(2) . ?
C1 C2 1.423(2) . ?
C1 C5 1.509(2) . ?
C2 C3 1.434(2) . ?
C2 C8 1.509(2) . ?
C3 C4 1.425(2) . ?
C3 C11 1.506(2) . ?
C4 C14 1.504(2) . ?
C5 C6 1.520(2) . ?
C6 C7 1.513(3) . ?
C8 C9 1.510(3) . ?
C9 C10 1.503(3) . ?
C11 C12 1.517(3) . ?
C12 C13 1.492(3) . ?
C14 C15 1.525(3) . ?
C15 C16 1.506(3) . ?
Fe2 C19 2.0622(17) 3_546 ?
Fe2 C19 2.0622(17) . ?
Fe2 C18 2.0638(16) . ?
Fe2 C18 2.0638(16) 3_546 ?
Fe2 C20 2.0980(18) . ?
Fe2 C20 2.0980(18) 3_546 ?
Fe2 C17 2.1040(19) . ?
Fe2 C17 2.1040(19) 3_546 ?
Fe2 P2 2.2988(9) . ?
Fe2 P2 2.2988(9) 3_546 ?
P2 C20 1.769(2) . ?
P2 C17 1.7711(19) . ?
C17 C18 1.427(2) . ?
C17 C21 1.503(3) . ?
C18 C19 1.439(2) . ?
C18 C24 1.512(2) . ?
C19 C20 1.424(2) . ?
C19 C27 1.505(2) . ?
C20 C30 1.434(9) . ?
C20 C33 1.657(14) . ?
C21 C22 1.522(3) . ?
C22 C23 1.511(3) . ?
C24 C25 1.522(3) . ?
C25 C26 1.513(3) . ?
C27 C28 1.515(2) . ?
C28 C29 1.499(3) . ?
C30 C31 1.516(10) . ?
C31 C32 1.512(5) . ?
C33 C34 1.524(16) . ?
C34 C35 1.481(9) . ?
