#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/61/2226136.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2226136
loop_
_publ_author_name
'Crossland, Justin L.'
'Zakharov, Lev N.'
'Tyler, David R.'
_publ_section_title
;
 Bis{1,2-bis[bis(3-hydroxypropyl)phosphino]ethane}dichloridoiron(II)
;
_journal_coeditor_code           HB5437
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m678
_journal_paper_doi               10.1107/S160053681001768X
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Fe Cl2 (C14 H32 O4 P2)2]'
_chemical_formula_moiety         'C28 H64 Cl2 Fe O8 P4'
_chemical_formula_sum            'C28 H64 Cl2 Fe O8 P4'
_chemical_formula_weight         779.42
_chemical_name_systematic
;
Bis{1,2-bis[bis(3-hydroxypropyl)phosphino]ethane}dichloridoiron(II)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXLTL
_cell_angle_alpha                96.0860(10)
_cell_angle_beta                 104.2150(10)
_cell_angle_gamma                105.8600(10)
_cell_formula_units_Z            1
_cell_length_a                   8.7120(4)
_cell_length_b                   10.4252(5)
_cell_length_c                   10.7441(5)
_cell_measurement_reflns_used    7234
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.25
_cell_measurement_theta_min      2.54
_cell_volume                     894.12(7)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX CCD'
_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  0.0148
_diffrn_reflns_av_sigmaI/netI    0.0166
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            10053
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.99
_exptl_absorpt_coefficient_mu    0.795
_exptl_absorpt_correction_T_max  0.870
_exptl_absorpt_correction_T_min  0.802
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            'lime green'
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             416
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.474
_refine_diff_density_min         -0.470
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     212
_refine_ls_number_reflns         3863
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0269
_refine_ls_R_factor_gt           0.0258
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0355P)²+0.5361P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0676
_refine_ls_wR_factor_ref         0.0684
_reflns_number_gt                3693
_reflns_number_total             3863
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hb5437.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_database_code               2226136
_cod_database_fobs_code          2226136
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe Fe1 0.5000 0.5000 0.0000 0.01036(8) Uani d S 1 . .
Cl Cl1 0.31246(4) 0.50199(3) 0.12398(3) 0.01664(9) Uani d . 1 . .
P P1 0.69987(4) 0.68781(3) 0.13091(3) 0.01216(9) Uani d . 1 . .
P P2 0.40130(4) 0.65190(3) -0.11033(3) 0.01239(9) Uani d . 1 . .
O O1 0.68912(15) 0.87217(12) 0.56263(11) 0.0248(2) Uani d . 1 . .
O O2 1.34336(14) 0.95555(12) 0.22692(12) 0.0234(2) Uani d . 1 . .
O O3 -0.07362(16) 0.74720(14) -0.34828(12) 0.0309(3) Uani d . 1 . .
O O4 0.19987(17) 0.52861(13) -0.62339(12) 0.0335(3) Uani d . 1 . .
C C1 0.70197(17) 0.82669(14) 0.03860(14) 0.0154(3) Uani d . 1 . .
H H1A 0.7685 0.9149 0.0967 0.019 Uiso calc R 1 . .
H H1B 0.7522 0.8142 -0.0332 0.019 Uiso calc R 1 . .
C C2 0.52256(18) 0.82418(14) -0.01648(14) 0.0158(3) Uani d . 1 . .
H H2A 0.5174 0.8919 -0.0741 0.019 Uiso calc R 1 . .
H H2B 0.4763 0.8465 0.0554 0.019 Uiso calc R 1 . .
C C3 0.65904(18) 0.75708(14) 0.28043(14) 0.0168(3) Uani d . 1 . .
H H3A 0.5491 0.7722 0.2545 0.020 Uiso calc R 1 . .
H H3B 0.6497 0.6867 0.3356 0.020 Uiso calc R 1 . .
C C4 0.78515(19) 0.88863(15) 0.36498(15) 0.0206(3) Uani d . 1 . .
H H4A 0.8880 0.8695 0.4096 0.025 Uiso calc R 1 . .
H H4B 0.8144 0.9541 0.3078 0.025 Uiso calc R 1 . .
C C5 0.7216(2) 0.95323(15) 0.46720(15) 0.0213(3) Uani d . 1 . .
H H5A 0.8050 1.0417 0.5123 0.026 Uiso calc R 1 . .
H H5B 0.6177 0.9709 0.4225 0.026 Uiso calc R 1 . .
C C6 0.92139(17) 0.69512(14) 0.18114(14) 0.0166(3) Uani d . 1 . .
H H6A 0.9467 0.6712 0.2690 0.020 Uiso calc R 1 . .
H H6B 0.9368 0.6247 0.1202 0.020 Uiso calc R 1 . .
C C7 1.04890(17) 0.83151(14) 0.18558(14) 0.0168(3) Uani d . 1 . .
H H7A 1.0265 0.8555 0.0976 0.020 Uiso calc R 1 . .
H H7B 1.0349 0.9028 0.2464 0.020 Uiso calc R 1 . .
C C8 1.22756(18) 0.82938(15) 0.22905(15) 0.0192(3) Uani d . 1 . .
H H8A 1.2522 0.8099 0.3188 0.023 Uiso calc R 1 . .
H H8B 1.2409 0.7557 0.1706 0.023 Uiso calc R 1 . .
C C9 0.18524(17) 0.65570(14) -0.13785(14) 0.0160(3) Uani d . 1 . .
H H9A 0.1138 0.5890 -0.2176 0.019 Uiso calc R 1 . .
H H9B 0.1454 0.6270 -0.0634 0.019 Uiso calc R 1 . .
C C10 0.16433(19) 0.79529(15) -0.15321(16) 0.0204(3) Uani d . 1 . .
H H10A 0.2110 0.8562 -0.0667 0.024 Uiso calc R 1 . .
H H10B 0.2292 0.8347 -0.2114 0.024 Uiso calc R 1 . .
C C11 -0.01607(19) 0.78978(15) -0.20895(16) 0.0215(3) Uani d . 1 . .
H H11A -0.0872 0.7260 -0.1688 0.026 Uiso calc R 1 . .
H H11B -0.0269 0.8808 -0.1860 0.026 Uiso calc R 1 . .
C C12 0.43480(19) 0.67282(16) -0.27098(14) 0.0197(3) Uani d . 1 . .
H H12A 0.4471 0.7684 -0.2800 0.024 Uiso calc R 1 . .
H H12B 0.5416 0.6569 -0.2715 0.024 Uiso calc R 1 . .
C C13 0.3005(3) 0.58188(19) -0.39026(16) 0.0370(5) Uani d . 1 . .
H H13A 0.2926 0.4861 -0.3855 0.044 Uiso calc R 1 . .
H H13B 0.1920 0.5936 -0.3886 0.044 Uiso calc R 1 . .
C C14 0.3314(3) 0.6099(2) -0.51359(17) 0.0419(5) Uani d . 1 . .
H H14A 0.3452 0.7069 -0.5168 0.050 Uiso calc R 1 . .
H H14B 0.4365 0.5930 -0.5180 0.050 Uiso calc R 1 . .
H H1O 0.758(3) 0.837(2) 0.583(2) 0.045(7) Uiso d . 1 . .
H H2O 1.337(3) 1.004(2) 0.279(2) 0.031(6) Uiso d . 1 . .
H H3O -0.109(3) 0.665(3) -0.364(3) 0.053(8) Uiso d . 1 . .
H H4O 0.238(3) 0.531(3) -0.688(3) 0.059(8) Uiso d . 1 . .
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P1 Fe1 P1 2_665 . 180.0 ?
P1 Fe1 P2 2_665 . 94.992(12) ?
P1 Fe1 P2 . . 85.008(12) y
P1 Fe1 P2 2_665 2_665 85.008(12) ?
P1 Fe1 P2 . 2_665 94.992(12) ?
P2 Fe1 P2 . 2_665 180.0 ?
P1 Fe1 Cl1 2_665 2_665 93.761(12) ?
P1 Fe1 Cl1 . 2_665 86.239(12) ?
P2 Fe1 Cl1 . 2_665 91.646(12) ?
P2 Fe1 Cl1 2_665 2_665 88.354(12) ?
P1 Fe1 Cl1 2_665 . 86.239(12) ?
P1 Fe1 Cl1 . . 93.761(12) ?
P2 Fe1 Cl1 . . 88.354(12) ?
P2 Fe1 Cl1 2_665 . 91.646(12) ?
Cl1 Fe1 Cl1 2_665 . 180.0 ?
C1 P1 C3 . . 101.59(7) ?
C1 P1 C6 . . 102.93(7) ?
C3 P1 C6 . . 105.40(7) ?
C1 P1 Fe1 . . 106.37(5) ?
C3 P1 Fe1 . . 116.80(5) ?
C6 P1 Fe1 . . 121.13(5) ?
C9 P2 C12 . . 101.59(7) ?
C9 P2 C2 . . 101.99(6) ?
C12 P2 C2 . . 99.55(7) ?
C9 P2 Fe1 . . 122.82(5) ?
C12 P2 Fe1 . . 119.70(5) ?
C2 P2 Fe1 . . 107.56(5) ?
C5 O1 H1O . . 110.5(18) ?
C8 O2 H2O . . 104.6(17) ?
C11 O3 H3O . . 107.7(19) ?
C14 O4 H4O . . 106.7(19) ?
C2 C1 P1 . . 107.68(9) ?
C2 C1 H1A . . 110.2 ?
P1 C1 H1A . . 110.2 ?
C2 C1 H1B . . 110.2 ?
P1 C1 H1B . . 110.2 ?
H1A C1 H1B . . 108.5 ?
C1 C2 P2 . . 107.90(9) ?
C1 C2 H2A . . 110.1 ?
P2 C2 H2A . . 110.1 ?
C1 C2 H2B . . 110.1 ?
P2 C2 H2B . . 110.1 ?
H2A C2 H2B . . 108.4 ?
C4 C3 P1 . . 117.88(10) ?
C4 C3 H3A . . 107.8 ?
P1 C3 H3A . . 107.8 ?
C4 C3 H3B . . 107.8 ?
P1 C3 H3B . . 107.8 ?
H3A C3 H3B . . 107.2 ?
C5 C4 C3 . . 113.34(13) ?
C5 C4 H4A . . 108.9 ?
C3 C4 H4A . . 108.9 ?
C5 C4 H4B . . 108.9 ?
C3 C4 H4B . . 108.9 ?
H4A C4 H4B . . 107.7 ?
O1 C5 C4 . . 113.85(13) ?
O1 C5 H5A . . 108.8 ?
C4 C5 H5A . . 108.8 ?
O1 C5 H5B . . 108.8 ?
C4 C5 H5B . . 108.8 ?
H5A C5 H5B . . 107.7 ?
C7 C6 P1 . . 116.21(10) ?
C7 C6 H6A . . 108.2 ?
P1 C6 H6A . . 108.2 ?
C7 C6 H6B . . 108.2 ?
P1 C6 H6B . . 108.2 ?
H6A C6 H6B . . 107.4 ?
C8 C7 C6 . . 112.88(12) ?
C8 C7 H7A . . 109.0 ?
C6 C7 H7A . . 109.0 ?
C8 C7 H7B . . 109.0 ?
C6 C7 H7B . . 109.0 ?
H7A C7 H7B . . 107.8 ?
O2 C8 C7 . . 111.79(12) ?
O2 C8 H8A . . 109.3 ?
C7 C8 H8A . . 109.3 ?
O2 C8 H8B . . 109.3 ?
C7 C8 H8B . . 109.3 ?
H8A C8 H8B . . 107.9 ?
C10 C9 P2 . . 114.10(10) ?
C10 C9 H9A . . 108.7 ?
P2 C9 H9A . . 108.7 ?
C10 C9 H9B . . 108.7 ?
P2 C9 H9B . . 108.7 ?
H9A C9 H9B . . 107.6 ?
C11 C10 C9 . . 113.31(12) ?
C11 C10 H10A . . 108.9 ?
C9 C10 H10A . . 108.9 ?
C11 C10 H10B . . 108.9 ?
C9 C10 H10B . . 108.9 ?
H10A C10 H10B . . 107.7 ?
O3 C11 C10 . . 112.15(13) ?
O3 C11 H11A . . 109.2 ?
C10 C11 H11A . . 109.2 ?
O3 C11 H11B . . 109.2 ?
C10 C11 H11B . . 109.2 ?
H11A C11 H11B . . 107.9 ?
C13 C12 P2 . . 116.73(11) ?
C13 C12 H12A . . 108.1 ?
P2 C12 H12A . . 108.1 ?
C13 C12 H12B . . 108.1 ?
P2 C12 H12B . . 108.1 ?
H12A C12 H12B . . 107.3 ?
C14 C13 C12 . . 113.40(15) ?
C14 C13 H13A . . 108.9 ?
C12 C13 H13A . . 108.9 ?
C14 C13 H13B . . 108.9 ?
C12 C13 H13B . . 108.9 ?
H13A C13 H13B . . 107.7 ?
O4 C14 C13 . . 112.24(16) ?
O4 C14 H14A . . 109.2 ?
C13 C14 H14A . . 109.2 ?
O4 C14 H14B . . 109.2 ?
C13 C14 H14B . . 109.2 ?
H14A C14 H14B . . 107.9 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Fe1 P1 2_665 2.2790(3) ?
Fe1 P1 . 2.2790(3) y
Fe1 P2 . 2.3008(3) y
Fe1 P2 2_665 2.3008(3) ?
Fe1 Cl1 2_665 2.3507(3) ?
Fe1 Cl1 . 2.3507(3) y
P1 C1 . 1.8383(14) ?
P1 C3 . 1.8449(14) ?
P1 C6 . 1.8496(14) ?
P2 C9 . 1.8445(14) ?
P2 C12 . 1.8452(15) ?
P2 C2 . 1.8478(14) ?
O1 C5 . 1.4287(19) ?
O1 H1O . 0.79(3) ?
O2 C8 . 1.4285(18) ?
O2 H2O . 0.73(2) ?
O3 C11 . 1.435(2) ?
O3 H3O . 0.81(3) ?
O4 C14 . 1.420(2) ?
O4 H4O . 0.84(3) ?
C1 C2 . 1.5212(19) ?
C1 H1A . 0.9900 ?
C1 H1B . 0.9900 ?
C2 H2A . 0.9900 ?
C2 H2B . 0.9900 ?
C3 C4 . 1.528(2) ?
C3 H3A . 0.9900 ?
C3 H3B . 0.9900 ?
C4 C5 . 1.521(2) ?
C4 H4A . 0.9900 ?
C4 H4B . 0.9900 ?
C5 H5A . 0.9900 ?
C5 H5B . 0.9900 ?
C6 C7 . 1.5344(19) ?
C6 H6A . 0.9900 ?
C6 H6B . 0.9900 ?
C7 C8 . 1.518(2) ?
C7 H7A . 0.9900 ?
C7 H7B . 0.9900 ?
C8 H8A . 0.9900 ?
C8 H8B . 0.9900 ?
C9 C10 . 1.5360(19) ?
C9 H9A . 0.9900 ?
C9 H9B . 0.9900 ?
C10 C11 . 1.521(2) ?
C10 H10A . 0.9900 ?
C10 H10B . 0.9900 ?
C11 H11A . 0.9900 ?
C11 H11B . 0.9900 ?
C12 C13 . 1.520(2) ?
C12 H12A . 0.9900 ?
C12 H12B . 0.9900 ?
C13 C14 . 1.459(2) ?
C13 H13A . 0.9900 ?
C13 H13B . 0.9900 ?
C14 H14A . 0.9900 ?
C14 H14B . 0.9900 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O1 H1O O3 1_656 0.79(3) 1.98(3) 2.7660(18) 174(3)
O2 H2O O1 2_776 0.73(2) 2.12(2) 2.8548(17) 174(2)
O3 H3O O4 2_564 0.81(3) 1.93(3) 2.7370(19) 171(3)
O4 H4O Cl1 1_554 0.84(3) 2.28(3) 3.1150(13) 171(3)
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
P2 Fe1 P1 C1 . . . . -18.86(5) ?
P2 Fe1 P1 C1 2_665 . . . 161.14(5) ?
Cl1 Fe1 P1 C1 2_665 . . . 73.13(5) ?
Cl1 Fe1 P1 C1 . . . . -106.87(5) ?
P2 Fe1 P1 C3 . . . . 93.66(5) ?
P2 Fe1 P1 C3 2_665 . . . -86.34(5) ?
Cl1 Fe1 P1 C3 2_665 . . . -174.36(5) ?
Cl1 Fe1 P1 C3 . . . . 5.64(5) ?
P1 Fe1 P1 C6 2_665 . . . 12E1(10) ?
P2 Fe1 P1 C6 . . . . -135.60(6) ?
P2 Fe1 P1 C6 2_665 . . . 44.40(6) ?
Cl1 Fe1 P1 C6 2_665 . . . -43.61(6) ?
Cl1 Fe1 P1 C6 . . . . 136.39(6) ?
P1 Fe1 P2 C9 2_665 . . . 55.49(6) ?
P1 Fe1 P2 C9 . . . . -124.51(6) ?
Cl1 Fe1 P2 C9 2_665 . . . 149.41(6) ?
Cl1 Fe1 P2 C9 . . . . -30.59(6) ?
P1 Fe1 P2 C12 2_665 . . . -74.53(6) ?
P1 Fe1 P2 C12 . . . . 105.47(6) ?
Cl1 Fe1 P2 C12 2_665 . . . 19.39(6) ?
Cl1 Fe1 P2 C12 . . . . -160.61(6) ?
P1 Fe1 P2 C2 2_665 . . . 173.09(5) ?
P1 Fe1 P2 C2 . . . . -6.91(5) ?
Cl1 Fe1 P2 C2 2_665 . . . -92.99(5) ?
Cl1 Fe1 P2 C2 . . . . 87.01(5) ?
C3 P1 C1 C2 . . . . -74.99(10) ?
C6 P1 C1 C2 . . . . 176.02(9) ?
Fe1 P1 C1 C2 . . . . 47.68(10) ?
P1 C1 C2 P2 . . . . -54.31(11) ?
C9 P2 C2 C1 . . . . 168.04(10) ?
C12 P2 C2 C1 . . . . -87.83(10) ?
Fe1 P2 C2 C1 . . . . 37.63(10) ?
C1 P1 C3 C4 . . . . -60.57(12) ?
C6 P1 C3 C4 . . . . 46.50(13) ?
Fe1 P1 C3 C4 . . . . -175.77(9) ?
P1 C3 C4 C5 . . . . 166.97(11) ?
C3 C4 C5 O1 . . . . 63.80(17) ?
C1 P1 C6 C7 . . . . 22.64(12) ?
C3 P1 C6 C7 . . . . -83.45(12) ?
Fe1 P1 C6 C7 . . . . 141.10(9) ?
P1 C6 C7 C8 . . . . 179.38(10) ?
C6 C7 C8 O2 . . . . 177.46(12) ?
C12 P2 C9 C10 . . . . -69.66(12) ?
C2 P2 C9 C10 . . . . 32.86(12) ?
Fe1 P2 C9 C10 . . . . 153.12(9) ?
P2 C9 C10 C11 . . . . 165.53(11) ?
C9 C10 C11 O3 . . . . -80.07(16) ?
C9 P2 C12 C13 . . . . -48.66(15) ?
C2 P2 C12 C13 . . . . -153.12(14) ?
Fe1 P2 C12 C13 . . . . 90.26(14) ?
P2 C12 C13 C14 . . . . 176.65(16) ?
C12 C13 C14 O4 . . . . -176.86(17) ?
