#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/57/2235722.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_2235722
loop_
_publ_author_name
'Ren, Xinfeng'
'Wang, Le'
'Li, Ya'
_publ_section_title
;
 1,1'-Bis[bis(4-methoxyphenyl)phosphanyl]ferrocene
;
_journal_coeditor_code           ZS2202
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m922
_journal_paper_doi               10.1107/S1600536812026293
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Fe (C19 H18 O2 P)2]'
_chemical_formula_moiety         'C38 H36 Fe O4 P2'
_chemical_formula_sum            'C38 H36 Fe O4 P2'
_chemical_formula_weight         674.46
_chemical_name_systematic
;
1,1'-Bis[bis(4-methoxyphenyl)phosphanyl]ferrocene
;
_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_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.3860(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.0790(8)
_cell_length_b                   9.9445(4)
_cell_length_c                   17.5663(8)
_cell_measurement_reflns_used    9910
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.33
_cell_measurement_theta_min      2.25
_cell_volume                     3255.3(2)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_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  0.0193
_diffrn_reflns_av_sigmaI/netI    0.0125
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18254
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.19
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.602
_exptl_absorpt_correction_T_max  0.8307
_exptl_absorpt_correction_T_min  0.7610
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.376
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.337
_refine_diff_density_min         -0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     204
_refine_ls_number_reflns         2869
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0273
_refine_ls_R_factor_gt           0.0259
_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)+(0.0343P)²+3.7311P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0679
_refine_ls_wR_factor_ref         0.0695
_reflns_number_gt                2740
_reflns_number_total             2869
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            zs2202.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2235722
_cod_database_fobs_code          2235722
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_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_symmetry_multiplicity
Fe Fe1 0.0000 0.11062(3) 0.2500 0.02319(10) Uani d S 1 2
P P1 0.11216(2) 0.17867(4) 0.12853(2) 0.02453(11) Uani d . 1 1
O O1 0.06477(7) 0.44156(13) -0.18422(7) 0.0424(3) Uani d . 1 1
O O2 0.22904(6) -0.37992(11) 0.13592(7) 0.0382(3) Uani d . 1 1
C C1 0.09423(8) 0.23741(15) 0.02723(9) 0.0248(3) Uani d . 1 1
C C2 0.03081(9) 0.30448(18) -0.00579(10) 0.0366(4) Uani d . 1 1
H H2A -0.0076 0.3054 0.0209 0.044 Uiso calc R 1 1
C C3 0.02282(10) 0.3694(2) -0.07642(11) 0.0414(4) Uani d . 1 1
H H3A -0.0210 0.4140 -0.0979 0.050 Uiso calc R 1 1
C C4 0.07794(9) 0.37024(16) -0.11638(9) 0.0302(3) Uani d . 1 1
C C5 0.14120(8) 0.30234(16) -0.08555(9) 0.0298(3) Uani d . 1 1
H H5A 0.1791 0.3003 -0.1129 0.036 Uiso calc R 1 1
C C6 0.14846(8) 0.23725(16) -0.01420(9) 0.0287(3) Uani d . 1 1
H H6A 0.1919 0.1912 0.0068 0.034 Uiso calc R 1 1
C C7 0.14856(8) 0.00986(15) 0.12251(9) 0.0250(3) Uani d . 1 1
C C8 0.19314(8) -0.04129(16) 0.18999(9) 0.0280(3) Uani d . 1 1
H H8A 0.2058 0.0142 0.2349 0.034 Uiso calc R 1 1
C C9 0.21914(8) -0.17124(16) 0.19252(9) 0.0312(3) Uani d . 1 1
H H9A 0.2488 -0.2049 0.2390 0.037 Uiso calc R 1 1
C C10 0.20173(8) -0.25261(15) 0.12684(9) 0.0281(3) Uani d . 1 1
C C11 0.15920(8) -0.20285(16) 0.05856(9) 0.0298(3) Uani d . 1 1
H H11A 0.1484 -0.2574 0.0131 0.036 Uiso calc R 1 1
C C12 0.13253(8) -0.07256(16) 0.05713(9) 0.0292(3) Uani d . 1 1
H H12A 0.1028 -0.0392 0.0106 0.035 Uiso calc R 1 1
C C13 -0.08978(9) 0.16360(19) 0.16939(9) 0.0356(4) Uani d . 1 1
H H13A -0.1341 0.2053 0.1808 0.043 Uiso calc R 1 1
C C14 -0.02860(9) 0.23385(17) 0.15681(9) 0.0311(3) Uani d . 1 1
H H14A -0.0226 0.3338 0.1572 0.037 Uiso calc R 1 1
C C15 0.02275(8) 0.13737(16) 0.14232(8) 0.0261(3) Uani d . 1 1
C C16 -0.00775(9) 0.00717(17) 0.14745(9) 0.0314(3) Uani d . 1 1
H H16A 0.0158 -0.0808 0.1411 0.038 Uiso calc R 1 1
C C17 -0.07674(9) 0.02422(19) 0.16437(9) 0.0370(4) Uani d . 1 1
H H17A -0.1102 -0.0497 0.1719 0.044 Uiso calc R 1 1
C C18 0.21229(11) -0.46909(18) 0.07098(12) 0.0456(4) Uani d . 1 1
H H18A 0.2351 -0.5564 0.0854 0.068 Uiso calc R 1 1
H H18B 0.2301 -0.4313 0.0272 0.068 Uiso calc R 1 1
H H18C 0.1602 -0.4809 0.0557 0.068 Uiso calc R 1 1
C C19 0.11777(11) 0.4448(3) -0.22871(12) 0.0557(6) Uani d . 1 1
H H19A 0.1009 0.4995 -0.2755 0.084 Uiso calc R 1 1
H H19B 0.1275 0.3531 -0.2440 0.084 Uiso calc R 1 1
H H19C 0.1618 0.4842 -0.1977 0.084 Uiso calc R 1 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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
C14 Fe1 C14 . 2 105.47(10)
C14 Fe1 C13 . 2 116.41(7)
C14 Fe1 C13 2 2 40.79(7)
C14 Fe1 C13 . . 40.80(7)
C14 Fe1 C13 2 . 116.41(7)
C13 Fe1 C13 2 . 150.12(11)
C14 Fe1 C15 . . 41.20(6)
C14 Fe1 C15 2 . 126.51(6)
C13 Fe1 C15 2 . 107.13(6)
C13 Fe1 C15 . . 68.81(6)
C14 Fe1 C15 . 2 126.51(6)
C14 Fe1 C15 2 2 41.20(6)
C13 Fe1 C15 2 2 68.81(6)
C13 Fe1 C15 . 2 107.13(6)
C15 Fe1 C15 . 2 165.06(9)
C14 Fe1 C17 . . 68.53(7)
C14 Fe1 C17 2 . 150.90(7)
C13 Fe1 C17 2 . 167.79(8)
C13 Fe1 C17 . . 40.43(8)
C15 Fe1 C17 . . 68.65(6)
C15 Fe1 C17 2 . 118.24(6)
C14 Fe1 C17 . 2 150.90(7)
C14 Fe1 C17 2 2 68.53(7)
C13 Fe1 C17 2 2 40.43(8)
C13 Fe1 C17 . 2 167.79(8)
C15 Fe1 C17 . 2 118.24(6)
C15 Fe1 C17 2 2 68.64(6)
C17 Fe1 C17 . 2 130.42(11)
C14 Fe1 C16 . 2 165.87(6)
C14 Fe1 C16 2 2 68.74(7)
C13 Fe1 C16 2 2 68.23(7)
C13 Fe1 C16 . 2 129.00(7)
C15 Fe1 C16 . 2 152.47(6)
C15 Fe1 C16 2 2 40.85(6)
C17 Fe1 C16 . 2 109.86(7)
C17 Fe1 C16 2 2 40.52(7)
C14 Fe1 C16 . . 68.74(7)
C14 Fe1 C16 2 . 165.87(6)
C13 Fe1 C16 2 . 129.01(7)
C13 Fe1 C16 . . 68.23(7)
C15 Fe1 C16 . . 40.85(6)
C15 Fe1 C16 2 . 152.47(6)
C17 Fe1 C16 . . 40.52(7)
C17 Fe1 C16 2 . 109.86(7)
C16 Fe1 C16 2 . 119.82(9)
C15 P1 C7 . . 100.31(7)
C15 P1 C1 . . 102.46(7)
C7 P1 C1 . . 103.32(7)
C4 O1 C19 . . 118.61(14)
C10 O2 C18 . . 117.95(13)
C6 C1 C2 . . 117.43(14)
C6 C1 P1 . . 120.27(11)
C2 C1 P1 . . 121.37(12)
C3 C2 C1 . . 121.15(15)
C3 C2 H2A . . 119.4
C1 C2 H2A . . 119.4
C2 C3 C4 . . 120.68(16)
C2 C3 H3A . . 119.7
C4 C3 H3A . . 119.7
O1 C4 C3 . . 115.40(15)
O1 C4 C5 . . 125.18(15)
C3 C4 C5 . . 119.41(15)
C4 C5 C6 . . 119.23(14)
C4 C5 H5A . . 120.4
C6 C5 H5A . . 120.4
C1 C6 C5 . . 122.08(14)
C1 C6 H6A . . 119.0
C5 C6 H6A . . 119.0
C12 C7 C8 . . 118.15(14)
C12 C7 P1 . . 124.75(12)
C8 C7 P1 . . 117.03(11)
C9 C8 C7 . . 121.10(14)
C9 C8 H8A . . 119.5
C7 C8 H8A . . 119.5
C8 C9 C10 . . 119.85(14)
C8 C9 H9A . . 120.1
C10 C9 H9A . . 120.1
O2 C10 C11 . . 124.73(14)
O2 C10 C9 . . 115.18(14)
C11 C10 C9 . . 120.09(14)
C10 C11 C12 . . 119.47(14)
C10 C11 H11A . . 120.3
C12 C11 H11A . . 120.3
C11 C12 C7 . . 121.31(14)
C11 C12 H12A . . 119.3
C7 C12 H12A . . 119.3
C17 C13 C14 . . 108.14(15)
C17 C13 Fe1 . . 70.00(10)
C14 C13 Fe1 . . 68.85(9)
C17 C13 H13A . . 125.9
C14 C13 H13A . . 125.9
Fe1 C13 H13A . . 125.9
C13 C14 C15 . . 108.36(15)
C13 C14 Fe1 . . 70.35(9)
C15 C14 Fe1 . . 70.25(9)
C13 C14 H14A . . 125.8
C15 C14 H14A . . 125.8
Fe1 C14 H14A . . 125.8
C16 C15 C14 . . 106.99(14)
C16 C15 P1 . . 128.17(12)
C14 C15 P1 . . 124.65(12)
C16 C15 Fe1 . . 69.78(8)
C14 C15 Fe1 . . 68.54(8)
P1 C15 Fe1 . . 122.87(8)
C17 C16 C15 . . 108.23(15)
C17 C16 Fe1 . . 69.63(9)
C15 C16 Fe1 . . 69.37(8)
C17 C16 H16A . . 125.9
C15 C16 H16A . . 125.9
Fe1 C16 H16A . . 125.9
C13 C17 C16 . . 108.27(15)
C13 C17 Fe1 . . 69.57(9)
C16 C17 Fe1 . . 69.85(9)
C13 C17 H17A . . 125.9
C16 C17 H17A . . 125.9
Fe1 C17 H17A . . 125.9
O2 C18 H18A . . 109.5
O2 C18 H18B . . 109.5
H18A C18 H18B . . 109.5
O2 C18 H18C . . 109.5
H18A C18 H18C . . 109.5
H18B C18 H18C . . 109.5
O1 C19 H19A . . 109.5
O1 C19 H19B . . 109.5
H19A C19 H19B . . 109.5
O1 C19 H19C . . 109.5
H19A C19 H19C . . 109.5
H19B C19 H19C . . 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Fe1 C14 . 2.0239(15)
Fe1 C14 2 2.0239(15)
Fe1 C13 2 2.0436(16)
Fe1 C13 . 2.0437(16)
Fe1 C15 . 2.0467(14)
Fe1 C15 2 2.0468(14)
Fe1 C17 . 2.0493(16)
Fe1 C17 2 2.0493(16)
Fe1 C16 2 2.0521(15)
Fe1 C16 . 2.0521(15)
P1 C15 . 1.8207(16)
P1 C7 . 1.8284(15)
P1 C1 . 1.8341(15)
O1 C4 . 1.3630(19)
O1 C19 . 1.405(2)
O2 C10 . 1.3653(19)
O2 C18 . 1.426(2)
C1 C6 . 1.387(2)
C1 C2 . 1.394(2)
C2 C3 . 1.378(2)
C2 H2A . 0.9500
C3 C4 . 1.384(2)
C3 H3A . 0.9500
C4 C5 . 1.388(2)
C5 C6 . 1.391(2)
C5 H5A . 0.9500
C6 H6A . 0.9500
C7 C12 . 1.390(2)
C7 C8 . 1.398(2)
C8 C9 . 1.381(2)
C8 H8A . 0.9500
C9 C10 . 1.390(2)
C9 H9A . 0.9500
C10 C11 . 1.387(2)
C11 C12 . 1.390(2)
C11 H11A . 0.9500
C12 H12A . 0.9500
C13 C17 . 1.414(3)
C13 C14 . 1.418(2)
C13 H13A . 1.0000
C14 C15 . 1.432(2)
C14 H14A . 1.0000
C15 C16 . 1.430(2)
C16 C17 . 1.420(2)
C16 H16A . 1.0000
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
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
C15 P1 C1 C6 . -158.86(12)
C7 P1 C1 C6 . -54.93(14)
C15 P1 C1 C2 . 32.47(15)
C7 P1 C1 C2 . 136.39(14)
C6 C1 C2 C3 . -0.8(3)
P1 C1 C2 C3 . 168.20(15)
C1 C2 C3 C4 . -0.3(3)
C19 O1 C4 C3 . -178.81(19)
C19 O1 C4 C5 . 2.0(3)
C2 C3 C4 O1 . -177.80(17)
C2 C3 C4 C5 . 1.4(3)
O1 C4 C5 C6 . 177.74(15)
C3 C4 C5 C6 . -1.4(2)
C2 C1 C6 C5 . 0.8(2)
P1 C1 C6 C5 . -168.32(12)
C4 C5 C6 C1 . 0.3(2)
C15 P1 C7 C12 . 77.75(14)
C1 P1 C7 C12 . -27.83(15)
C15 P1 C7 C8 . -99.24(12)
C1 P1 C7 C8 . 155.18(12)
C12 C7 C8 C9 . -1.7(2)
P1 C7 C8 C9 . 175.54(12)
C7 C8 C9 C10 . 0.9(2)
C18 O2 C10 C11 . -0.6(2)
C18 O2 C10 C9 . 179.14(15)
C8 C9 C10 O2 . -178.84(14)
C8 C9 C10 C11 . 0.9(2)
O2 C10 C11 C12 . 177.88(14)
C9 C10 C11 C12 . -1.9(2)
C10 C11 C12 C7 . 1.1(2)
C8 C7 C12 C11 . 0.7(2)
P1 C7 C12 C11 . -176.27(12)
C14 Fe1 C13 C17 . 119.74(14)
C14 Fe1 C13 C17 2 -157.13(9)
C13 Fe1 C13 C17 2 169.20(10)
C15 Fe1 C13 C17 . 81.54(10)
C15 Fe1 C13 C17 2 -113.69(10)
C17 Fe1 C13 C17 2 -45.9(4)
C16 Fe1 C13 C17 2 -73.95(12)
C16 Fe1 C13 C17 . 37.49(10)
C14 Fe1 C13 C14 2 83.13(13)
C13 Fe1 C13 C14 2 49.46(9)
C15 Fe1 C13 C14 . -38.20(9)
C15 Fe1 C13 C14 2 126.58(10)
C17 Fe1 C13 C14 . -119.74(14)
C17 Fe1 C13 C14 2 -165.6(3)
C16 Fe1 C13 C14 2 166.31(10)
C16 Fe1 C13 C14 . -82.24(10)
C17 C13 C14 C15 . 1.07(18)
Fe1 C13 C14 C15 . 60.23(10)
C17 C13 C14 Fe1 . -59.16(11)
C14 Fe1 C14 C13 2 -112.69(11)
C13 Fe1 C14 C13 2 -154.99(10)
C15 Fe1 C14 C13 . 118.92(14)
C15 Fe1 C14 C13 2 -72.72(12)
C17 Fe1 C14 C13 . 37.24(10)
C17 Fe1 C14 C13 2 173.79(14)
C16 Fe1 C14 C13 2 -48.9(3)
C16 Fe1 C14 C13 . 80.90(11)
C14 Fe1 C14 C15 2 128.39(10)
C13 Fe1 C14 C15 2 86.09(11)
C13 Fe1 C14 C15 . -118.92(14)
C15 Fe1 C14 C15 2 168.36(7)
C17 Fe1 C14 C15 . -81.68(10)
C17 Fe1 C14 C15 2 54.88(18)
C16 Fe1 C14 C15 2 -167.8(3)
C16 Fe1 C14 C15 . -38.02(9)
C13 C14 C15 C16 . -0.85(17)
Fe1 C14 C15 C16 . 59.44(10)
C13 C14 C15 P1 . -176.22(11)
Fe1 C14 C15 P1 . -115.93(11)
C13 C14 C15 Fe1 . -60.29(11)
C7 P1 C15 C16 . 0.58(15)
C1 P1 C15 C16 . 106.83(14)
C7 P1 C15 C14 . 174.94(13)
C1 P1 C15 C14 . -78.80(14)
C7 P1 C15 Fe1 . 89.69(10)
C1 P1 C15 Fe1 . -164.05(9)
C14 Fe1 C15 C16 . -118.64(13)
C14 Fe1 C15 C16 2 171.34(10)
C13 Fe1 C15 C16 2 130.58(10)
C13 Fe1 C15 C16 . -80.81(10)
C15 Fe1 C15 C16 2 -157.63(9)
C17 Fe1 C15 C16 . -37.27(10)
C17 Fe1 C15 C16 2 88.20(11)
C16 Fe1 C15 C16 2 55.0(2)
C14 Fe1 C15 C14 2 -70.02(15)
C13 Fe1 C15 C14 2 -110.77(10)
C13 Fe1 C15 C14 . 37.84(10)
C15 Fe1 C15 C14 2 -38.99(9)
C17 Fe1 C15 C14 . 81.37(11)
C17 Fe1 C15 C14 2 -153.16(10)
C16 Fe1 C15 C14 2 173.61(13)
C16 Fe1 C15 C14 . 118.64(13)
C14 Fe1 C15 P1 . 118.25(14)
C14 Fe1 C15 P1 2 48.23(13)
C13 Fe1 C15 P1 2 7.48(12)
C13 Fe1 C15 P1 . 156.09(12)
C15 Fe1 C15 P1 2 79.27(9)
C17 Fe1 C15 P1 . -160.38(12)
C17 Fe1 C15 P1 2 -34.91(12)
C16 Fe1 C15 P1 2 -68.14(18)
C16 Fe1 C15 P1 . -123.11(14)
C14 C15 C16 C17 . 0.31(18)
P1 C15 C16 C17 . 175.46(12)
Fe1 C15 C16 C17 . 58.97(11)
C14 C15 C16 Fe1 . -58.66(10)
P1 C15 C16 Fe1 . 116.49(12)
C14 Fe1 C16 C17 . -81.42(11)
C14 Fe1 C16 C17 2 -149.5(3)
C13 Fe1 C16 C17 2 171.18(11)
C13 Fe1 C16 C17 . -37.41(11)
C15 Fe1 C16 C17 . -119.76(14)
C15 Fe1 C16 C17 2 47.99(19)
C17 Fe1 C16 C17 2 129.68(13)
C16 Fe1 C16 C17 2 86.11(10)
C14 Fe1 C16 C15 . 38.34(9)
C14 Fe1 C16 C15 2 -29.7(3)
C13 Fe1 C16 C15 2 -69.06(12)
C13 Fe1 C16 C15 . 82.34(10)
C15 Fe1 C16 C15 2 167.75(9)
C17 Fe1 C16 C15 . 119.76(14)
C17 Fe1 C16 C15 2 -110.57(10)
C16 Fe1 C16 C15 2 -154.14(10)
C14 C13 C17 C16 . -0.88(19)
Fe1 C13 C17 C16 . -59.33(11)
C14 C13 C17 Fe1 . 58.45(11)
C15 C16 C17 C13 . 0.34(19)
Fe1 C16 C17 C13 . 59.15(11)
C15 C16 C17 Fe1 . -58.81(11)
C14 Fe1 C17 C13 . -37.56(10)
C14 Fe1 C17 C13 2 45.70(18)
C13 Fe1 C17 C13 2 -153.8(3)
C15 Fe1 C17 C13 . -81.98(10)
C15 Fe1 C17 C13 2 83.40(11)
C17 Fe1 C17 C13 2 168.49(10)
C16 Fe1 C17 C13 2 127.43(10)
C16 Fe1 C17 C13 . -119.54(14)
C14 Fe1 C17 C16 . 81.98(11)
C14 Fe1 C17 C16 2 165.24(13)
C13 Fe1 C17 C16 2 -34.3(4)
C13 Fe1 C17 C16 . 119.54(14)
C15 Fe1 C17 C16 . 37.56(10)
C15 Fe1 C17 C16 2 -157.06(10)
C17 Fe1 C17 C16 2 -71.97(10)
C16 Fe1 C17 C16 2 -113.03(12)
