#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:08:49 +0100 (vie 25 de mar de 2016) $
#$Revision: 179777 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/73/7007390.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_7007390
loop_
_publ_author_name
'Moser, Carmen'
'Orthaber, Andreas'
'Nieger, Martin'
'Belaj, Ferdinand'
'Pietschnig, Rudolf'
_publ_section_title
;
 The homologous series of 1,1'-ferrocenylenebisdihalophosphanes
 (C5H4PX2)2Fe (X = F, Cl, Br, I): precursors for the first metallocene
 bridged bisphosphaalkene.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3879
_journal_page_last               3885
_journal_paper_doi               10.1039/b604501d
_journal_year                    2006
_chemical_formula_moiety         'C10 H8 Br4 Fe P2'
_chemical_formula_sum            'C10 H8 Br4 Fe P2'
_chemical_formula_weight         565.59
_chemical_name_common            1,1'-bis(dibromophosphano)ferrocene
_chemical_name_systematic        ' 1,1'-bis(dibromophosphano)ferrocene'
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'manual edited SHELXL-97 .cif file'
_cell_angle_alpha                90.00
_cell_angle_beta                 119.010(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.647(4)
_cell_length_b                   8.992(2)
_cell_length_c                   13.668(3)
_cell_measurement_reflns_used    45
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      21.35
_cell_measurement_theta_min      15.38
_cell_volume                     1466.8(7)
_computing_cell_refinement       'local software'
_computing_data_collection       'local software'
_computing_data_reduction        'local software'
_computing_molecular_graphics    'ORTEP (Johnson, 1965)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  Stoe
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0682
_diffrn_reflns_av_sigmaI/netI    0.0658
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_number            6511
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         2.83
_diffrn_standards_decay_%        4.2
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    12.116
_exptl_absorpt_correction_T_max  0.3795
_exptl_absorpt_correction_T_min  0.2849
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
'Parkin, S., Moezzi, B. and Hope H. (1995) J. Appl. Cryst. 28, 53-56'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.561
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1056
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.511
_refine_diff_density_min         -1.483
_refine_diff_density_rms         0.217
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     158
_refine_ls_number_reflns         2882
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0505
_refine_ls_R_factor_gt           0.0473
_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)+(0.0680P)²+4.5809P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1177
_refine_ls_wR_factor_ref         0.1204
_reflns_number_gt                2709
_reflns_number_total             2882
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b604501d.txt
_cod_data_source_block           rp104a_compound_3c
_cod_original_sg_symbol_H-M      'P 2/n'
_cod_database_code               7007390
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, 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 0.7500 0.95335(18) 0.2500 0.0134(4) Uani 1 2 d S . .
P1 P 0.6774(2) 0.8672(2) 0.4487(2) 0.0183(5) Uani 1 1 d . . .
Br11 Br 0.54704(9) 1.04291(11) 0.37424(9) 0.0310(3) Uani 1 1 d . . .
Br12 Br 0.76407(8) 0.94765(10) 0.62656(8) 0.0245(2) Uani 1 1 d . . .
C11 C 0.7774(7) 0.9287(9) 0.4095(7) 0.0175(18) Uani 1 1 d . . .
C12 C 0.8463(7) 0.8258(10) 0.3883(7) 0.0175(18) Uani 1 1 d . . .
H12 H 0.8447 0.7205 0.3931 0.021(13) Uiso 1 1 calc R . .
C13 C 0.9169(8) 0.9088(12) 0.3589(8) 0.024(2) Uani 1 1 d . . .
H13 H 0.9699 0.8683 0.3401 0.021(13) Uiso 1 1 calc R . .
C14 C 0.8950(8) 1.0609(11) 0.3625(8) 0.023(2) Uani 1 1 d . . .
H14 H 0.9314 1.1405 0.3474 0.021(13) Uiso 1 1 calc R . .
C15 C 0.8084(8) 1.0759(10) 0.3928(8) 0.0197(19) Uani 1 1 d . . .
H15 H 0.7772 1.1666 0.4005 0.021(13) Uiso 1 1 calc R . .
Fe2 Fe 0.2500 0.53529(18) 0.2500 0.0129(4) Uani 1 2 d S . .
P2 P 0.44274(18) 0.4149(2) 0.1805(2) 0.0181(5) Uani 1 1 d . . .
Br21 Br 0.38856(9) 0.58915(12) 0.05008(9) 0.0318(3) Uani 1 1 d . . .
Br22 Br 0.62908(8) 0.46026(10) 0.26939(9) 0.0250(3) Uani 1 1 d . . .
C21 C 0.4086(6) 0.4977(10) 0.2794(7) 0.0147(16) Uani 1 1 d . . .
C22 C 0.3838(7) 0.4030(10) 0.3492(7) 0.0177(19) Uani 1 1 d . . .
H22 H 0.3843 0.2973 0.3500 0.022(14) Uiso 1 1 calc R . .
C23 C 0.3583(7) 0.4984(13) 0.4170(9) 0.023(2) Uani 1 1 d . . .
H23 H 0.3396 0.4666 0.4721 0.022(14) Uiso 1 1 calc R . .
C24 C 0.3655(8) 0.6493(12) 0.3889(8) 0.027(2) Uani 1 1 d . . .
H24 H 0.3513 0.7347 0.4210 0.022(14) Uiso 1 1 calc R . .
C25 C 0.3973(7) 0.6495(10) 0.3048(8) 0.0168(17) Uani 1 1 d . . .
H25 H 0.4092 0.7350 0.2711 0.022(14) 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'
Br Br -0.2901 2.4595 '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
C15 Fe1 C15 114.5(5) . 2_655 ?
C15 Fe1 C11 41.4(3) . . ?
C15 Fe1 C11 150.2(4) . 2_655 ?
C11 Fe1 C11 167.5(5) . 2_655 ?
C15 Fe1 C12 164.5(4) . 2_655 ?
C11 Fe1 C12 128.9(3) . 2_655 ?
C15 Fe1 C12 69.0(4) . . ?
C11 Fe1 C12 41.4(3) . . ?
C12 Fe1 C12 112.0(5) . 2_655 ?
C15 Fe1 C14 41.0(4) . . ?
C11 Fe1 C14 69.0(4) . . ?
C12 Fe1 C14 67.7(4) . . ?
C15 Fe1 C14 104.4(4) . 2_655 ?
C11 Fe1 C14 117.4(4) . 2_655 ?
C12 Fe1 C14 154.5(4) . 2_655 ?
C14 Fe1 C14 124.1(5) . 2_655 ?
C15 Fe1 C13 125.3(4) . 2_655 ?
C11 Fe1 C13 108.4(4) . 2_655 ?
C12 Fe1 C13 123.0(4) . 2_655 ?
C14 Fe1 C13 161.8(4) . 2_655 ?
C15 Fe1 C13 68.4(4) . . ?
C11 Fe1 C13 69.0(4) . . ?
C12 Fe1 C13 40.4(4) . . ?
C14 Fe1 C13 39.8(4) . . ?
C13 Fe1 C13 157.6(6) . 2_655 ?
C11 P1 Br11 101.6(3) . . yes
C11 P1 Br12 98.5(3) . . yes
Br11 P1 Br12 98.67(9) . . yes
C15 C11 C12 106.6(8) . . yes
C15 C11 P1 131.3(7) . . yes
C12 C11 P1 122.0(6) . . yes
C15 C11 Fe1 69.3(5) . . ?
C12 C11 Fe1 69.8(5) . . ?
P1 C11 Fe1 125.9(5) . . ?
C13 C12 C11 108.5(8) . . ?
C13 C12 Fe1 70.5(5) . . ?
C11 C12 Fe1 68.8(5) . . ?
C13 C12 H12 125.8 . . ?
C11 C12 H12 125.8 . . ?
Fe1 C12 H12 126.5 . . ?
C14 C13 C12 108.5(9) . . ?
C14 C13 Fe1 70.0(5) . . ?
C12 C13 Fe1 69.2(5) . . ?
C14 C13 H13 125.8 . . ?
C12 C13 H13 125.8 . . ?
Fe1 C13 H13 126.6 . . ?
C13 C14 C15 108.7(8) . . ?
C13 C14 Fe1 70.2(5) . . ?
C15 C14 Fe1 68.5(5) . . ?
C13 C14 H14 125.7 . . ?
C15 C14 H14 125.7 . . ?
Fe1 C14 H14 127.2 . . ?
C14 C15 C11 107.8(8) . . ?
C14 C15 Fe1 70.6(5) . . ?
C11 C15 Fe1 69.3(5) . . ?
C14 C15 H15 126.1 . . ?
C11 C15 H15 126.1 . . ?
Fe1 C15 H15 125.6 . . ?
C21 Fe2 C21 160.8(5) . 2 ?
C21 Fe2 C22 123.9(4) . 2 ?
C21 Fe2 C22 41.3(4) . . ?
C22 Fe2 C22 108.9(5) . 2 ?
C21 Fe2 C25 41.2(3) . . ?
C22 Fe2 C25 69.3(3) . . ?
C21 Fe2 C25 156.8(4) . 2 ?
C22 Fe2 C25 159.4(4) . 2 ?
C25 Fe2 C25 119.8(5) . 2 ?
C21 Fe2 C23 108.4(4) . 2 ?
C22 Fe2 C23 124.9(4) . 2 ?
C25 Fe2 C23 122.4(4) . 2 ?
C21 Fe2 C23 68.3(4) . . ?
C22 Fe2 C23 40.6(4) . . ?
C25 Fe2 C23 68.0(4) . . ?
C23 Fe2 C23 161.4(6) . 2 ?
C21 Fe2 C24 68.5(4) . . ?
C22 Fe2 C24 68.9(4) . . ?
C25 Fe2 C24 40.2(4) . . ?
C23 Fe2 C24 40.6(4) . . ?
C21 Fe2 C24 122.1(4) . 2 ?
C22 Fe2 C24 159.9(4) . 2 ?
C25 Fe2 C24 105.3(4) . 2 ?
C23 Fe2 C24 157.0(4) . 2 ?
C24 Fe2 C24 120.2(6) . 2 ?
C21 P2 Br21 101.9(3) . . yes
C21 P2 Br22 99.0(3) . . yes
Br21 P2 Br22 98.90(9) . . yes
C25 C21 C22 108.4(8) . . yes
C25 C21 P2 132.5(7) . . yes
C22 C21 P2 119.1(7) . . yes
C25 C21 Fe2 70.2(5) . . ?
C22 C21 Fe2 70.0(5) . . ?
P2 C21 Fe2 124.3(4) . . ?
C23 C22 C21 106.6(9) . . ?
C23 C22 Fe2 70.1(5) . . ?
C21 C22 Fe2 68.7(5) . . ?
C23 C22 H22 126.7 . . ?
C21 C22 H22 126.7 . . ?
Fe2 C22 H22 126.0 . . ?
C22 C23 C24 109.1(9) . . ?
C22 C23 Fe2 69.3(6) . . ?
C24 C23 Fe2 69.7(6) . . ?
C22 C23 H23 125.4 . . ?
C24 C23 H23 125.4 . . ?
Fe2 C23 H23 127.1 . . ?
C25 C24 C23 108.0(9) . . ?
C25 C24 Fe2 69.6(5) . . ?
C23 C24 Fe2 69.7(6) . . ?
C25 C24 H24 126.0 . . ?
C23 C24 H24 126.0 . . ?
Fe2 C24 H24 126.3 . . ?
C24 C25 C21 107.9(8) . . ?
C24 C25 Fe2 70.3(5) . . ?
C21 C25 Fe2 68.6(4) . . ?
C24 C25 H25 126.1 . . ?
C21 C25 H25 126.1 . . ?
Fe2 C25 H25 126.6 . . ?
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 C11 2.038(9) . yes
Fe1 C12 2.051(9) . yes
Fe1 C13 2.067(9) . yes
Fe1 C14 2.065(9) . yes
Fe1 C15 2.037(9) . yes
P1 C11 1.779(9) . yes
P1 Br11 2.223(3) . yes
P1 Br12 2.246(3) . yes
C11 C15 1.441(11) . ?
C11 C12 1.445(12) . ?
C12 C13 1.421(13) . ?
C12 H12 0.95 . ?
C13 C14 1.406(14) . ?
C13 H13 0.95 . ?
C14 C15 1.435(14) . ?
C14 H14 0.95 . ?
C15 H15 0.95 . ?
Fe2 C21 2.028(8) . yes
Fe2 C22 2.046(8) . yes
Fe2 C23 2.057(10) . yes
Fe2 C24 2.058(10) . yes
Fe2 C25 2.049(8) . yes
P2 C21 1.792(9) . yes
P2 Br21 2.213(3) . yes
P2 Br22 2.261(3) . yes
C21 C25 1.436(12) . ?
C21 C22 1.436(13) . ?
C22 C23 1.424(14) . ?
C22 H22 0.95 . ?
C23 C24 1.427(16) . ?
C23 H23 0.95 . ?
C24 C25 1.411(14) . ?
C24 H24 0.95 . ?
C25 H25 0.95 . ?
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
Br11 P1 C11 C15 31.4(9) . . . . yes
Br12 P1 C11 C15 -69.3(9) . . . . yes
Br11 P1 C11 C12 -148.8(7) . . . . yes
Br12 P1 C11 C12 110.5(7) . . . . yes
Br11 P1 C11 Fe1 -61.7(6) . . . . ?
Br12 P1 C11 Fe1 -162.4(5) . . . . ?
C15 Fe1 C11 C15 -44.3(12) 2_655 . . . ?
C12 Fe1 C11 C15 -163.1(5) 2_655 . . . ?
C12 Fe1 C11 C15 117.7(7) . . . . ?
C14 Fe1 C11 C15 38.0(6) . . . . ?
C14 Fe1 C11 C15 -80.6(6) 2_655 . . . ?
C13 Fe1 C11 C15 -122.8(6) 2_655 . . . ?
C13 Fe1 C11 C15 80.8(6) . . . . ?
C15 Fe1 C11 C12 -117.7(7) . . . . ?
C15 Fe1 C11 C12 -162.0(7) 2_655 . . . ?
C12 Fe1 C11 C12 79.2(8) 2_655 . . . ?
C14 Fe1 C11 C12 -79.7(6) . . . . ?
C14 Fe1 C11 C12 161.7(5) 2_655 . . . ?
C13 Fe1 C11 C12 119.4(5) 2_655 . . . ?
C13 Fe1 C11 C12 -37.0(5) . . . . ?
C15 Fe1 C11 P1 126.7(9) . . . . ?
C15 Fe1 C11 P1 82.4(9) 2_655 . . . ?
C12 Fe1 C11 P1 -36.4(8) 2_655 . . . ?
C12 Fe1 C11 P1 -115.5(8) . . . . ?
C14 Fe1 C11 P1 164.7(7) . . . . ?
C14 Fe1 C11 P1 46.2(7) 2_655 . . . ?
C13 Fe1 C11 P1 3.9(7) 2_655 . . . ?
C13 Fe1 C11 P1 -152.5(7) . . . . ?
C15 C11 C12 C13 -0.3(10) . . . . ?
P1 C11 C12 C13 179.9(7) . . . . yes
Fe1 C11 C12 C13 59.5(6) . . . . ?
C15 C11 C12 Fe1 -59.8(6) . . . . ?
P1 C11 C12 Fe1 120.4(6) . . . . ?
C15 Fe1 C12 C13 -81.0(6) . . . . ?
C15 Fe1 C12 C13 25.1(16) 2_655 . . . ?
C11 Fe1 C12 C13 -119.9(8) . . . . ?
C11 Fe1 C12 C13 71.2(7) 2_655 . . . ?
C12 Fe1 C12 C13 115.6(6) 2_655 . . . ?
C14 Fe1 C12 C13 -36.8(6) . . . . ?
C14 Fe1 C12 C13 -160.2(9) 2_655 . . . ?
C13 Fe1 C12 C13 159.8(6) 2_655 . . . ?
C15 Fe1 C12 C11 38.9(5) . . . . ?
C15 Fe1 C12 C11 145.0(13) 2_655 . . . ?
C11 Fe1 C12 C11 -169.0(4) 2_655 . . . ?
C12 Fe1 C12 C11 -124.5(5) 2_655 . . . ?
C14 Fe1 C12 C11 83.0(6) . . . . ?
C14 Fe1 C12 C11 -40.4(10) 2_655 . . . ?
C13 Fe1 C12 C11 -80.4(6) 2_655 . . . ?
C13 Fe1 C12 C11 119.9(8) . . . . ?
C11 C12 C13 C14 0.7(10) . . . . ?
Fe1 C12 C13 C14 59.2(6) . . . . ?
C11 C12 C13 Fe1 -58.5(6) . . . . ?
C15 Fe1 C13 C14 -37.4(6) . . . . ?
C15 Fe1 C13 C14 68.1(8) 2_655 . . . ?
C11 Fe1 C13 C14 -82.0(6) . . . . ?
C11 Fe1 C13 C14 111.0(6) 2_655 . . . ?
C12 Fe1 C13 C14 154.4(6) 2_655 . . . ?
C12 Fe1 C13 C14 -119.9(9) . . . . ?
C14 Fe1 C13 C14 32.3(19) 2_655 . . . ?
C13 Fe1 C13 C14 -169.5(6) 2_655 . . . ?
C15 Fe1 C13 C12 82.5(6) . . . . ?
C15 Fe1 C13 C12 -172.0(5) 2_655 . . . ?
C11 Fe1 C13 C12 37.9(5) . . . . ?
C11 Fe1 C13 C12 -129.1(6) 2_655 . . . ?
C12 Fe1 C13 C12 -85.7(8) 2_655 . . . ?
C14 Fe1 C13 C12 119.9(9) . . . . ?
C14 Fe1 C13 C12 152.2(12) 2_655 . . . ?
C12 C13 C14 C15 -0.8(10) . . . . ?
Fe1 C13 C14 C15 57.8(6) . . . . ?
C12 C13 C14 Fe1 -58.7(6) . . . . ?
C15 Fe1 C14 C13 120.5(8) . . . . ?
C15 Fe1 C14 C13 -128.6(6) 2_655 . . . ?
C11 Fe1 C14 C13 82.0(6) . . . . ?
C11 Fe1 C14 C13 -86.2(6) 2_655 . . . ?
C12 Fe1 C14 C13 -57.3(10) 2_655 . . . ?
C12 Fe1 C14 C13 37.3(6) . . . . ?
C14 Fe1 C14 C13 -168.4(7) 2_655 . . . ?
C13 Fe1 C14 C13 167.2(9) 2_655 . . . ?
C15 Fe1 C14 C15 111.0(7) 2_655 . . . ?
C11 Fe1 C14 C15 -38.4(5) . . . . ?
C11 Fe1 C14 C15 153.3(5) 2_655 . . . ?
C12 Fe1 C14 C15 -177.8(7) 2_655 . . . ?
C12 Fe1 C14 C15 -83.1(6) . . . . ?
C14 Fe1 C14 C15 71.1(5) 2_655 . . . ?
C13 Fe1 C14 C15 46.8(15) 2_655 . . . ?
C13 Fe1 C14 C15 -120.5(8) . . . . ?
C13 C14 C15 C11 0.7(10) . . . . ?
Fe1 C14 C15 C11 59.5(6) . . . . ?
C13 C14 C15 Fe1 -58.9(6) . . . . ?
C12 C11 C15 C14 -0.2(10) . . . . ?
P1 C11 C15 C14 179.5(7) . . . . ?
Fe1 C11 C15 C14 -60.3(6) . . . . ?
C12 C11 C15 Fe1 60.1(6) . . . . ?
P1 C11 C15 Fe1 -120.1(8) . . . . ?
C15 Fe1 C15 C14 -83.8(5) 2_655 . . . ?
C11 Fe1 C15 C14 118.7(8) . . . . ?
C11 Fe1 C15 C14 -53.2(10) 2_655 . . . ?
C12 Fe1 C15 C14 176.5(12) 2_655 . . . ?
C12 Fe1 C15 C14 79.8(6) . . . . ?
C14 Fe1 C15 C14 -126.0(7) 2_655 . . . ?
C13 Fe1 C15 C14 -163.8(6) 2_655 . . . ?
C13 Fe1 C15 C14 36.4(5) . . . . ?
C15 Fe1 C15 C11 157.6(6) 2_655 . . . ?
C11 Fe1 C15 C11 -171.9(4) 2_655 . . . ?
C12 Fe1 C15 C11 57.8(15) 2_655 . . . ?
C12 Fe1 C15 C11 -38.8(5) . . . . ?
C14 Fe1 C15 C11 -118.7(8) . . . . ?
C14 Fe1 C15 C11 115.3(6) 2_655 . . . ?
C13 Fe1 C15 C11 77.5(7) 2_655 . . . ?
C13 Fe1 C15 C11 -82.3(6) . . . . ?
Br21 P2 C21 C25 -25.7(8) . . . . yes
Br22 P2 C21 C25 75.5(8) . . . . yes
Br21 P2 C21 C22 152.8(6) . . . . yes
Br22 P2 C21 C22 -106.1(6) . . . . yes
Br21 P2 C21 Fe2 68.1(5) . . . . ?
Br22 P2 C21 Fe2 169.3(5) . . . . ?
C21 Fe2 C21 C25 -164.7(5) 2 . . . ?
C22 Fe2 C21 C25 160.8(5) 2 . . . ?
C22 Fe2 C21 C25 -119.2(8) . . . . ?
C25 Fe2 C21 C25 41.5(13) 2 . . . ?
C23 Fe2 C21 C25 118.5(6) 2 . . . ?
C23 Fe2 C21 C25 -80.9(6) . . . . ?
C24 Fe2 C21 C25 -37.2(6) . . . . ?
C24 Fe2 C21 C25 75.9(6) 2 . . . ?
C22 Fe2 C21 C22 -80.0(8) 2 . . . ?
C25 Fe2 C21 C22 119.2(8) . . . . ?
C25 Fe2 C21 C22 160.7(8) 2 . . . ?
C23 Fe2 C21 C22 -122.2(6) 2 . . . ?
C23 Fe2 C21 C22 38.3(6) . . . . ?
C24 Fe2 C21 C22 82.1(6) . . . . ?
C24 Fe2 C21 C22 -164.8(6) 2 . . . ?
C22 Fe2 C21 P2 32.3(7) 2 . . . ?
C22 Fe2 C21 P2 112.2(8) . . . . ?
C25 Fe2 C21 P2 -128.5(8) . . . . ?
C25 Fe2 C21 P2 -87.0(11) 2 . . . ?
C23 Fe2 C21 P2 -10.0(7) 2 . . . ?
C23 Fe2 C21 P2 150.5(7) . . . . ?
C24 Fe2 C21 P2 -165.7(7) . . . . ?
C24 Fe2 C21 P2 -52.6(7) 2 . . . ?
C25 C21 C22 C23 -0.3(9) . . . . ?
P2 C21 C22 C23 -179.1(6) . . . . yes
Fe2 C21 C22 C23 -60.2(6) . . . . ?
C25 C21 C22 Fe2 59.9(5) . . . . ?
P2 C21 C22 Fe2 -118.9(6) . . . . ?
C21 Fe2 C22 C23 -78.6(7) 2 . . . ?
C21 Fe2 C22 C23 117.8(8) . . . . ?
C22 Fe2 C22 C23 -121.9(6) 2 . . . ?
C25 Fe2 C22 C23 79.9(6) . . . . ?
C25 Fe2 C22 C23 -40.6(13) 2 . . . ?
C23 Fe2 C22 C23 -164.3(6) 2 . . . ?
C24 Fe2 C22 C23 36.7(6) . . . . ?
C24 Fe2 C22 C23 157.9(11) 2 . . . ?
C21 Fe2 C22 C21 163.6(5) 2 . . . ?
C22 Fe2 C22 C21 120.2(6) 2 . . . ?
C25 Fe2 C22 C21 -37.9(5) . . . . ?
C25 Fe2 C22 C21 -158.4(9) 2 . . . ?
C23 Fe2 C22 C21 77.9(7) 2 . . . ?
C23 Fe2 C22 C21 -117.8(8) . . . . ?
C24 Fe2 C22 C21 -81.1(6) . . . . ?
C24 Fe2 C22 C21 40.1(14) 2 . . . ?
C21 C22 C23 C24 0.8(9) . . . . ?
Fe2 C22 C23 C24 -58.5(6) . . . . ?
C21 C22 C23 Fe2 59.3(6) . . . . ?
C21 Fe2 C23 C22 120.9(6) 2 . . . ?
C21 Fe2 C23 C22 -38.9(6) . . . . ?
C22 Fe2 C23 C22 78.1(8) 2 . . . ?
C25 Fe2 C23 C22 -83.5(6) . . . . ?
C25 Fe2 C23 C22 164.3(5) 2 . . . ?
C24 Fe2 C23 C22 -120.9(8) . . . . ?
C24 Fe2 C23 C22 -160.7(9) 2 . . . ?
C21 Fe2 C23 C24 -118.2(6) 2 . . . ?
C21 Fe2 C23 C24 81.9(6) . . . . ?
C22 Fe2 C23 C24 -161.0(5) 2 . . . ?
C22 Fe2 C23 C24 120.9(8) . . . . ?
C25 Fe2 C23 C24 37.4(6) . . . . ?
C25 Fe2 C23 C24 -74.9(6) 2 . . . ?
C24 Fe2 C23 C24 -39.8(14) 2 . . . ?
C22 C23 C24 C25 -1.0(10) . . . . ?
Fe2 C23 C24 C25 -59.2(6) . . . . ?
C22 C23 C24 Fe2 58.2(6) . . . . ?
C21 Fe2 C24 C25 -159.8(5) 2 . . . ?
C21 Fe2 C24 C25 38.1(5) . . . . ?
C22 Fe2 C24 C25 170.1(10) 2 . . . ?
C22 Fe2 C24 C25 82.5(6) . . . . ?
C25 Fe2 C24 C25 -118.3(6) 2 . . . ?
C23 Fe2 C24 C25 -48.7(12) 2 . . . ?
C23 Fe2 C24 C25 119.3(8) . . . . ?
C24 Fe2 C24 C25 -77.5(5) 2 . . . ?
C21 Fe2 C24 C23 80.8(7) 2 . . . ?
C21 Fe2 C24 C23 -81.2(6) . . . . ?
C22 Fe2 C24 C23 50.7(14) 2 . . . ?
C22 Fe2 C24 C23 -36.8(6) . . . . ?
C25 Fe2 C24 C23 -119.3(8) . . . . ?
C25 Fe2 C24 C23 122.4(6) 2 . . . ?
C23 Fe2 C24 C23 -168.0(6) 2 . . . ?
C24 Fe2 C24 C23 163.1(6) 2 . . . ?
C23 C24 C25 C21 0.8(10) . . . . ?
Fe2 C24 C25 C21 -58.5(6) . . . . ?
C23 C24 C25 Fe2 59.3(6) . . . . ?
C22 C21 C25 C24 -0.3(10) . . . . ?
P2 C21 C25 C24 178.2(7) . . . . ?
Fe2 C21 C25 C24 59.5(6) . . . . ?
C22 C21 C25 Fe2 -59.8(5) . . . . ?
P2 C21 C25 Fe2 118.7(7) . . . . ?
C21 Fe2 C25 C24 47.9(12) 2 . . . ?
C21 Fe2 C25 C24 -119.4(8) . . . . ?
C22 Fe2 C25 C24 -170.3(10) 2 . . . ?
C22 Fe2 C25 C24 -81.4(6) . . . . ?
C25 Fe2 C25 C24 78.1(6) 2 . . . ?
C23 Fe2 C25 C24 159.6(6) 2 . . . ?
C23 Fe2 C25 C24 -37.7(6) . . . . ?
C24 Fe2 C25 C24 119.0(7) 2 . . . ?
C21 Fe2 C25 C21 167.3(6) 2 . . . ?
C22 Fe2 C25 C21 -50.9(12) 2 . . . ?
C22 Fe2 C25 C21 38.0(5) . . . . ?
C25 Fe2 C25 C21 -162.5(6) 2 . . . ?
C23 Fe2 C25 C21 -81.0(6) 2 . . . ?
C23 Fe2 C25 C21 81.7(6) . . . . ?
C24 Fe2 C25 C21 119.4(8) . . . . ?
C24 Fe2 C25 C21 -121.6(6) 2 . . . ?
