#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:13:15 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179744 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/40/7004005.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_7004005
loop_
_publ_author_name
'Kermagoret, Anthony'
'Tomicki, Falk'
'Braunstein, Pierre'
_publ_section_title
;
 Nickel and iron complexes with N,P,N-type ligands: synthesis,
 structure and catalytic oligomerization of ethylene
;
_journal_issue                   22
_journal_name_full               'Dalton Transactions'
_journal_page_first              2945
_journal_page_last               2955
_journal_paper_doi               10.1039/b802009d
_journal_year                    2008
_chemical_formula_moiety         'C28 H34 Fe N4 O5 P2, 4(C2 H3 N), Fe2 Cl6 O'
_chemical_formula_sum            'C36 H46 Cl6 Fe3 N8 O5 P2'
_chemical_formula_weight         1113.00
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             10-03-06
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.368(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.3270(7)
_cell_length_b                   21.8930(12)
_cell_length_c                   15.4880(9)
_cell_measurement_reflns_used    6590
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      0.998
_cell_volume                     4872.1(5)
_computing_cell_refinement       'Denzo (Nonius B.V., 1998)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo (Nonius B.V., 1998)'
_computing_molecular_graphics    'PLATON 98 (Spek, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'π 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  0.0325
_diffrn_reflns_av_sigmaI/netI    0.0640
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            12328
_diffrn_reflns_theta_full        30.03
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         3.22
_exptl_absorpt_coefficient_mu    1.323
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.517
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2272
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.411
_refine_diff_density_min         -0.309
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         7114
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0798
_refine_ls_R_factor_gt           0.0498
_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)+(0.0192P)²+4.8417P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0822
_refine_ls_wR_factor_ref         0.0895
_reflns_number_gt                5370
_reflns_number_total             7114
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b802009d.txt
_cod_data_source_block           kerma_feox2
_cod_original_cell_volume        4872.1(4)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7004005
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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 0.0000 0.346081(18) 0.2500 0.02233(10) Uani 1 2 d S . .
Fe2 Fe 0.39922(2) 0.133776(14) 0.27738(2) 0.03321(9) Uani 1 1 d . . .
Cl1 Cl 0.37786(5) 0.05726(3) 0.36310(4) 0.04886(16) Uani 1 1 d . . .
Cl2 Cl 0.41128(5) 0.21857(3) 0.35971(5) 0.05718(19) Uani 1 1 d . . .
Cl3 Cl 0.27481(5) 0.14031(3) 0.15039(4) 0.05134(17) Uani 1 1 d . . .
P P 0.10833(4) 0.27949(2) 0.31781(4) 0.02697(12) Uani 1 1 d . . .
O1 O 0.22454(11) 0.42875(7) 0.45051(11) 0.0440(4) Uani 1 1 d . . .
O2 O 0.16641(12) 0.31358(8) 0.09472(12) 0.0500(5) Uani 1 1 d . . .
O3 O 0.5000 0.12120(12) 0.2500 0.0576(7) Uani 1 2 d S . .
N1 N 0.09457(11) 0.40644(7) 0.33157(11) 0.0271(4) Uani 1 1 d . . .
N2 N 0.06403(12) 0.34685(8) 0.15820(11) 0.0276(4) Uani 1 1 d . . .
N3 N 0.2076(2) 0.10848(16) 0.7249(3) 0.0989(11) Uani 1 1 d . . .
N4 N 0.3998(2) 0.43424(15) 0.0932(3) 0.0983(11) Uani 1 1 d . . .
C1 C 0.09429(14) 0.20640(9) 0.36585(13) 0.0294(4) Uani 1 1 d . . .
C2 C 0.1228(2) 0.15140(11) 0.34107(17) 0.0461(6) Uani 1 1 d . . .
H2 H 0.1552 0.1507 0.2988 0.055 Uiso 1 1 calc . . .
C3 C 0.1043(2) 0.09719(11) 0.37758(18) 0.0583(8) Uani 1 1 d . . .
H3 H 0.1239 0.0595 0.3599 0.070 Uiso 1 1 calc . . .
C4 C 0.0584(2) 0.09745(13) 0.4384(2) 0.0579(8) Uani 1 1 d . . .
H4 H 0.0451 0.0601 0.4623 0.069 Uiso 1 1 calc . . .
C5 C 0.0315(2) 0.15153(15) 0.4649(2) 0.0728(10) Uani 1 1 d . . .
H5 H 0.0008 0.1519 0.5087 0.087 Uiso 1 1 calc . . .
C6 C 0.0489(2) 0.20597(12) 0.4282(2) 0.0558(7) Uani 1 1 d . . .
H6 H 0.0291 0.2434 0.4463 0.067 Uiso 1 1 calc . . .
C7 C 0.19369(16) 0.32191(11) 0.41256(16) 0.0407(6) Uani 1 1 d . . .
H7A H 0.1908 0.3089 0.4727 0.049 Uiso 1 1 calc . . .
H7B H 0.2576 0.3149 0.4127 0.049 Uiso 1 1 calc . . .
C8 C 0.16759(15) 0.38730(10) 0.39503(14) 0.0327(5) Uani 1 1 d . . .
C9 C 0.17588(17) 0.48691(11) 0.42732(16) 0.0425(6) Uani 1 1 d . . .
H9A H 0.2177 0.5193 0.4199 0.051 Uiso 1 1 calc . . .
H9B H 0.1507 0.4995 0.4754 0.051 Uiso 1 1 calc . . .
C10 C 0.09787(16) 0.47403(10) 0.33663(15) 0.0347(5) Uani 1 1 d . . .
H10A H 0.0380 0.4909 0.3368 0.042 Uiso 1 1 calc . . .
H10B H 0.1121 0.4917 0.2842 0.042 Uiso 1 1 calc . . .
C11 C 0.16550(17) 0.26354(11) 0.23393(17) 0.0418(6) Uani 1 1 d . . .
H11A H 0.2340 0.2666 0.2632 0.050 Uiso 1 1 calc . . .
H11B H 0.1495 0.2221 0.2077 0.050 Uiso 1 1 calc . . .
C12 C 0.12995(16) 0.31034(10) 0.16177(15) 0.0354(5) Uani 1 1 d . . .
C13 C 0.12296(19) 0.36674(13) 0.03909(17) 0.0503(7) Uani 1 1 d . . .
H13A H 0.0966 0.3559 -0.0270 0.060 Uiso 1 1 calc . . .
H13B H 0.1687 0.4001 0.0472 0.060 Uiso 1 1 calc . . .
C14 C 0.04652(17) 0.38551(10) 0.07508(15) 0.0372(5) Uani 1 1 d . . .
H14A H 0.0511 0.4294 0.0912 0.045 Uiso 1 1 calc . . .
H14B H -0.0158 0.3772 0.0290 0.045 Uiso 1 1 calc . . .
C15 C 0.1753(2) 0.06189(16) 0.7076(2) 0.0621(8) Uani 1 1 d . . .
C16 C 0.1351(2) 0.00256(17) 0.6835(3) 0.0795(10) Uani 1 1 d . . .
H16A H 0.1240 -0.0054 0.6183 0.119 Uiso 1 1 calc . . .
H16B H 0.0759 0.0007 0.6946 0.119 Uiso 1 1 calc . . .
H16C H 0.1778 -0.0283 0.7213 0.119 Uiso 1 1 calc . . .
C17 C 0.3938(2) 0.38462(18) 0.1064(3) 0.0737(10) Uani 1 1 d . . .
C18 C 0.3831(3) 0.31935(19) 0.1184(4) 0.1129(16) Uani 1 1 d . . .
H18A H 0.3522 0.3003 0.0582 0.169 Uiso 1 1 calc . . .
H18B H 0.3454 0.3130 0.1574 0.169 Uiso 1 1 calc . . .
H18C H 0.4445 0.3008 0.1478 0.169 Uiso 1 1 calc . . .
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'
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Fe1 N2 179.03(10) . 2 ?
N2 Fe1 N1 88.45(7) . 2 ?
N2 Fe1 N1 90.92(7) 2 2 ?
N2 Fe1 N1 90.92(7) . . ?
N2 Fe1 N1 88.44(7) 2 . ?
N1 Fe1 N1 99.34(9) 2 . ?
N2 Fe1 P 98.25(5) . 2 ?
N2 Fe1 P 82.41(5) 2 2 ?
N1 Fe1 P 82.95(5) 2 2 ?
N1 Fe1 P 170.62(5) . 2 ?
N2 Fe1 P 82.40(5) . . ?
N2 Fe1 P 98.25(5) 2 . ?
N1 Fe1 P 170.62(5) 2 . ?
N1 Fe1 P 82.95(5) . . ?
P Fe1 P 96.26(3) 2 . ?
O3 Fe2 Cl3 110.63(2) . . ?
O3 Fe2 Cl2 111.36(7) . . ?
Cl3 Fe2 Cl2 109.21(3) . . ?
O3 Fe2 Cl1 110.41(7) . . ?
Cl3 Fe2 Cl1 108.50(3) . . ?
Cl2 Fe2 Cl1 106.61(3) . . ?
C1 P C11 106.09(10) . . ?
C1 P C7 105.76(10) . . ?
C11 P C7 106.15(12) . . ?
C1 P Fe1 127.51(7) . . ?
C11 P Fe1 104.88(7) . . ?
C7 P Fe1 104.89(8) . . ?
C8 O1 C9 105.68(16) . . ?
C12 O2 C13 105.73(17) . . ?
Fe2 O3 Fe2 162.00(16) 2_655 . ?
C8 N1 C10 106.41(17) . . ?
C8 N1 Fe1 120.50(14) . . ?
C10 N1 Fe1 133.07(13) . . ?
C12 N2 C14 107.25(18) . . ?
C12 N2 Fe1 123.00(14) . . ?
C14 N2 Fe1 129.74(14) . . ?
C6 C1 C2 118.4(2) . . ?
C6 C1 P 117.22(17) . . ?
C2 C1 P 124.27(18) . . ?
C1 C2 C3 120.3(3) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
C4 C3 C2 120.6(3) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C3 C4 C5 119.8(2) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C4 C5 C6 120.1(3) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C1 C6 C5 120.8(3) . . ?
C1 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
C8 C7 P 105.60(14) . . ?
C8 C7 H7A 110.6 . . ?
P C7 H7A 110.6 . . ?
C8 C7 H7B 110.6 . . ?
P C7 H7B 110.6 . . ?
H7A C7 H7B 108.8 . . ?
N1 C8 O1 118.14(19) . . ?
N1 C8 C7 124.42(19) . . ?
O1 C8 C7 117.43(18) . . ?
O1 C9 C10 103.67(17) . . ?
O1 C9 H9A 111.0 . . ?
C10 C9 H9A 111.0 . . ?
O1 C9 H9B 111.0 . . ?
C10 C9 H9B 111.0 . . ?
H9A C9 H9B 109.0 . . ?
N1 C10 C9 103.61(17) . . ?
N1 C10 H10A 111.0 . . ?
C9 C10 H10A 111.0 . . ?
N1 C10 H10B 111.0 . . ?
C9 C10 H10B 111.0 . . ?
H10A C10 H10B 109.0 . . ?
C12 C11 P 105.25(15) . . ?
C12 C11 H11A 110.7 . . ?
P C11 H11A 110.7 . . ?
C12 C11 H11B 110.7 . . ?
P C11 H11B 110.7 . . ?
H11A C11 H11B 108.8 . . ?
N2 C12 O2 118.09(19) . . ?
N2 C12 C11 123.2(2) . . ?
O2 C12 C11 118.70(19) . . ?
O2 C13 C14 104.49(18) . . ?
O2 C13 H13A 110.9 . . ?
C14 C13 H13A 110.9 . . ?
O2 C13 H13B 110.9 . . ?
C14 C13 H13B 110.9 . . ?
H13A C13 H13B 108.9 . . ?
N2 C14 C13 103.54(18) . . ?
N2 C14 H14A 111.1 . . ?
C13 C14 H14A 111.1 . . ?
N2 C14 H14B 111.1 . . ?
C13 C14 H14B 111.1 . . ?
H14A C14 H14B 109.0 . . ?
N3 C15 C16 178.5(4) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N4 C17 C18 177.0(5) . . ?
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 . . ?
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 N2 1.9891(17) . ?
Fe1 N2 1.9892(17) 2 ?
Fe1 N1 2.0416(16) 2 ?
Fe1 N1 2.0417(16) . ?
Fe1 P 2.1842(6) 2 ?
Fe1 P 2.1843(6) . ?
Fe2 O3 1.7600(5) . ?
Fe2 Cl3 2.2169(7) . ?
Fe2 Cl2 2.2231(7) . ?
Fe2 Cl1 2.2311(7) . ?
P C1 1.809(2) . ?
P C11 1.836(2) . ?
P C7 1.841(2) . ?
O1 C8 1.342(2) . ?
O1 C9 1.456(3) . ?
O2 C12 1.341(3) . ?
O2 C13 1.463(3) . ?
O3 Fe2 1.7599(5) 2_655 ?
N1 C8 1.276(3) . ?
N1 C10 1.482(3) . ?
N2 C12 1.274(3) . ?
N2 C14 1.485(3) . ?
N3 C15 1.125(4) . ?
N4 C17 1.115(4) . ?
C1 C6 1.372(3) . ?
C1 C2 1.380(3) . ?
C2 C3 1.386(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.357(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.363(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.386(4) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.486(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C9 C10 1.521(3) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.474(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C13 C14 1.519(3) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.430(5) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.458(5) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Fe1 P C1 -133.47(10) . . . . ?
N2 Fe1 P C1 47.26(10) 2 . . . ?
N1 Fe1 P C1 -120.6(3) 2 . . . ?
N1 Fe1 P C1 134.65(10) . . . . ?
P Fe1 P C1 -35.94(8) 2 . . . ?
N2 Fe1 P C11 -9.03(10) . . . . ?
N2 Fe1 P C11 171.70(10) 2 . . . ?
N1 Fe1 P C11 3.9(3) 2 . . . ?
N1 Fe1 P C11 -100.91(10) . . . . ?
P Fe1 P C11 88.50(9) 2 . . . ?
N2 Fe1 P C7 102.59(10) . . . . ?
N2 Fe1 P C7 -76.68(10) 2 . . . ?
N1 Fe1 P C7 115.5(3) 2 . . . ?
N1 Fe1 P C7 10.71(10) . . . . ?
P Fe1 P C7 -159.88(9) 2 . . . ?
Cl3 Fe2 O3 Fe2 89.42(4) . . . 2_655 ?
Cl2 Fe2 O3 Fe2 -32.23(3) . . . 2_655 ?
Cl1 Fe2 O3 Fe2 -150.45(3) . . . 2_655 ?
N2 Fe1 N1 C8 -91.77(17) . . . . ?
N2 Fe1 N1 C8 88.97(17) 2 . . . ?
N1 Fe1 N1 C8 179.7(2) 2 . . . ?
P Fe1 N1 C8 76.2(4) 2 . . . ?
P Fe1 N1 C8 -9.54(16) . . . . ?
N2 Fe1 N1 C10 90.16(19) . . . . ?
N2 Fe1 N1 C10 -89.09(19) 2 . . . ?
N1 Fe1 N1 C10 1.59(16) 2 . . . ?
P Fe1 N1 C10 -101.8(3) 2 . . . ?
P Fe1 N1 C10 172.39(19) . . . . ?
N2 Fe1 N2 C12 138.88(18) 2 . . . ?
N1 Fe1 N2 C12 -171.44(18) 2 . . . ?
N1 Fe1 N2 C12 89.24(18) . . . . ?
P Fe1 N2 C12 -88.80(18) 2 . . . ?
P Fe1 N2 C12 6.48(17) . . . . ?
N2 Fe1 N2 C14 -42.78(18) 2 . . . ?
N1 Fe1 N2 C14 6.90(18) 2 . . . ?
N1 Fe1 N2 C14 -92.42(18) . . . . ?
P Fe1 N2 C14 89.55(17) 2 . . . ?
P Fe1 N2 C14 -175.18(18) . . . . ?
C11 P C1 C6 -177.2(2) . . . . ?
C7 P C1 C6 70.4(2) . . . . ?
Fe1 P C1 C6 -53.2(2) . . . . ?
C11 P C1 C2 0.1(2) . . . . ?
C7 P C1 C2 -112.4(2) . . . . ?
Fe1 P C1 C2 124.03(19) . . . . ?
C6 C1 C2 C3 1.0(4) . . . . ?
P C1 C2 C3 -176.23(19) . . . . ?
C1 C2 C3 C4 -0.3(4) . . . . ?
C2 C3 C4 C5 -1.0(4) . . . . ?
C3 C4 C5 C6 1.6(5) . . . . ?
C2 C1 C6 C5 -0.4(4) . . . . ?
P C1 C6 C5 177.0(3) . . . . ?
C4 C5 C6 C1 -0.9(5) . . . . ?
C1 P C7 C8 -148.64(16) . . . . ?
C11 P C7 C8 98.93(17) . . . . ?
Fe1 P C7 C8 -11.78(18) . . . . ?
C10 N1 C8 O1 2.7(3) . . . . ?
Fe1 N1 C8 O1 -175.81(15) . . . . ?
C10 N1 C8 C7 -177.9(2) . . . . ?
Fe1 N1 C8 C7 3.5(3) . . . . ?
C9 O1 C8 N1 7.8(3) . . . . ?
C9 O1 C8 C7 -171.6(2) . . . . ?
P C7 C8 N1 6.4(3) . . . . ?
P C7 C8 O1 -174.25(17) . . . . ?
C8 O1 C9 C10 -14.1(2) . . . . ?
C8 N1 C10 C9 -11.4(2) . . . . ?
Fe1 N1 C10 C9 166.84(15) . . . . ?
O1 C9 C10 N1 15.3(2) . . . . ?
C1 P C11 C12 148.29(16) . . . . ?
C7 P C11 C12 -99.51(17) . . . . ?
Fe1 P C11 C12 11.20(18) . . . . ?
C14 N2 C12 O2 -0.6(3) . . . . ?
Fe1 N2 C12 O2 178.03(15) . . . . ?
C14 N2 C12 C11 -178.4(2) . . . . ?
Fe1 N2 C12 C11 0.3(3) . . . . ?
C13 O2 C12 N2 6.6(3) . . . . ?
C13 O2 C12 C11 -175.5(2) . . . . ?
P C11 C12 N2 -8.3(3) . . . . ?
P C11 C12 O2 173.92(18) . . . . ?
C12 O2 C13 C14 -9.2(3) . . . . ?
C12 N2 C14 C13 -5.3(2) . . . . ?
Fe1 N2 C14 C13 176.11(16) . . . . ?
O2 C13 C14 N2 8.7(2) . . . . ?
