#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:09:14 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179233 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/53/4315350.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_4315350
loop_
_publ_author_name
'Kristen A. Thoreson'
'Angela D. Follett'
'Kristopher McNeill'
_publ_section_title
;
 Synthesis and Characterization of Pentaphosphino Zero-Valent Iron
 Complexes and Their Corresponding Iron(II)-Chloride and -Hydride
 Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3942
_journal_page_last               3949
_journal_paper_doi               10.1021/ic1003325
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C15 H40 Fe P5'
_chemical_formula_sum            'C15 H40 Fe P5'
_chemical_formula_weight         431.17
_chemical_name_common            (dmpe)5Fe2
_chemical_name_systematic
; 
 ? 
;
_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           SHELXL-97
_cell_angle_alpha                101.020(2)
_cell_angle_beta                 98.323(2)
_cell_angle_gamma                113.373(2)
_cell_formula_units_Z            2
_cell_length_a                   9.075(1)
_cell_length_b                   9.224(1)
_cell_length_c                   15.328(2)
_cell_measurement_reflns_used    2443
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.40
_cell_measurement_theta_min      2.50
_cell_volume                     1120.9(2)
_computing_cell_refinement       'SAINT, Bruker'
_computing_data_collection       'SMART, Bruker'
_computing_data_reduction        'SAINT, Bruker'
_computing_molecular_graphics    'SHELXTL, Bruker'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker SMART Platform CCD'
_diffrn_measurement_method       'area detector, omega scan per phi'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0274
_diffrn_reflns_av_sigmaI/netI    0.0353
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            12929
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.40
_exptl_absorpt_coefficient_mu    1.024
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.827760
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, R. Blessing, 1995'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.278
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             462
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.457
_refine_diff_density_min         -0.229
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     200
_refine_ls_number_reflns         4986
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0447
_refine_ls_R_factor_gt           0.0298
_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)+(0.0327P)²+0.3290P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0696
_refine_ls_wR_factor_ref         0.0756
_reflns_number_gt                4053
_reflns_number_total             4986
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1003325_si_002_5.cif
_cod_data_source_block           06056m
_cod_database_code               4315350
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.44062(3) 0.20670(3) 0.750193(19) 0.01713(8) Uani 1 1 d . . .
P1 P 0.43590(6) 0.01203(6) 0.64279(3) 0.01955(12) Uani 1 1 d . . .
P2 P 0.24588(7) 0.07482(7) 0.81056(4) 0.02452(13) Uani 1 1 d . . .
P3 P 0.25288(7) 0.26230(7) 0.68026(4) 0.02529(13) Uani 1 1 d . . .
P4 P 0.63151(7) 0.43307(6) 0.74171(4) 0.02241(12) Uani 1 1 d . . .
P5 P 0.63145(7) 0.24026(7) 0.86681(4) 0.02474(13) Uani 1 1 d . . .
C1 C 0.2525(3) 0.4660(3) 0.7119(2) 0.0418(6) Uani 1 1 d . . .
H1A H 0.1474 0.4591 0.6799 0.063 Uiso 1 1 calc R . .
H1B H 0.3441 0.5460 0.6945 0.063 Uiso 1 1 calc R . .
H1C H 0.2660 0.5009 0.7783 0.063 Uiso 1 1 calc R . .
C2 C 0.2083(3) 0.2337(3) 0.55455(17) 0.0423(6) Uani 1 1 d . . .
H2A H 0.1185 0.2635 0.5360 0.063 Uiso 1 1 calc R . .
H2B H 0.1749 0.1185 0.5229 0.063 Uiso 1 1 calc R . .
H2C H 0.3078 0.3039 0.5383 0.063 Uiso 1 1 calc R . .
C3 C 0.0409(3) 0.1374(3) 0.69304(18) 0.0380(6) Uani 1 1 d . . .
H3A H 0.0075 0.2077 0.7351 0.046 Uiso 1 1 calc R . .
H3B H -0.0397 0.0932 0.6327 0.046 Uiso 1 1 calc R . .
C4 C 0.0408(3) -0.0027(3) 0.73088(16) 0.0304(5) Uani 1 1 d . . .
H4A H 0.0224 -0.0979 0.6806 0.037 Uiso 1 1 calc R . .
H4B H -0.0481 -0.0376 0.7637 0.037 Uiso 1 1 calc R . .
C5 C 0.2004(3) 0.1756(3) 0.91301(17) 0.0461(7) Uani 1 1 d . . .
H5A H 0.0989 0.0976 0.9241 0.069 Uiso 1 1 calc R . .
H5B H 0.1855 0.2711 0.9027 0.069 Uiso 1 1 calc R . .
H5C H 0.2927 0.2113 0.9664 0.069 Uiso 1 1 calc R . .
C6 C 0.2262(3) -0.1124(3) 0.84375(19) 0.0436(6) Uani 1 1 d . . .
H6A H 0.1188 -0.1637 0.8583 0.065 Uiso 1 1 calc R . .
H6B H 0.3153 -0.0838 0.8977 0.065 Uiso 1 1 calc R . .
H6C H 0.2339 -0.1894 0.7929 0.065 Uiso 1 1 calc R . .
C7 C 0.6854(3) 0.0760(3) 0.89218(18) 0.0435(6) Uani 1 1 d . . .
H7A H 0.7718 0.1208 0.9494 0.065 Uiso 1 1 calc R . .
H7B H 0.7259 0.0338 0.8420 0.065 Uiso 1 1 calc R . .
H7C H 0.5868 -0.0135 0.8986 0.065 Uiso 1 1 calc R . .
C8 C 0.6317(3) 0.3283(3) 0.98580(15) 0.0406(6) Uani 1 1 d . . .
H8A H 0.7406 0.3626 1.0262 0.061 Uiso 1 1 calc R . .
H8B H 0.5468 0.2454 1.0057 0.061 Uiso 1 1 calc R . .
H8C H 0.6079 0.4236 0.9886 0.061 Uiso 1 1 calc R . .
C9 C 0.8429(3) 0.3904(3) 0.86522(18) 0.0417(6) Uani 1 1 d . . .
H9A H 0.8828 0.4904 0.9168 0.050 Uiso 1 1 calc R . .
H9B H 0.9214 0.3412 0.8726 0.050 Uiso 1 1 calc R . .
C10 C 0.8355(3) 0.4355(3) 0.77493(17) 0.0336(5) Uani 1 1 d . . .
H10A H 0.8484 0.3549 0.7276 0.040 Uiso 1 1 calc R . .
H10B H 0.9248 0.5459 0.7825 0.040 Uiso 1 1 calc R . .
C11 C 0.6739(3) 0.6315(3) 0.82107(16) 0.0343(5) Uani 1 1 d . . .
H11A H 0.7716 0.7192 0.8127 0.051 Uiso 1 1 calc R . .
H11B H 0.6944 0.6251 0.8844 0.051 Uiso 1 1 calc R . .
H11C H 0.5782 0.6553 0.8081 0.051 Uiso 1 1 calc R . .
C12 C 0.6527(3) 0.5053(3) 0.63735(16) 0.0340(5) Uani 1 1 d . . .
H12A H 0.7566 0.6050 0.6511 0.051 Uiso 1 1 calc R . .
H12B H 0.5594 0.5294 0.6172 0.051 Uiso 1 1 calc R . .
H12C H 0.6532 0.4197 0.5886 0.051 Uiso 1 1 calc R . .
C13 C 0.5533(3) -0.1061(3) 0.66558(16) 0.0318(5) Uani 1 1 d . . .
H13A H 0.5289 -0.1931 0.6101 0.048 Uiso 1 1 calc R . .
H13B H 0.5213 -0.1553 0.7152 0.048 Uiso 1 1 calc R . .
H13C H 0.6721 -0.0327 0.6835 0.048 Uiso 1 1 calc R . .
C14 C 0.2365(3) -0.1689(3) 0.58336(15) 0.0329(5) Uani 1 1 d . . .
H14A H 0.2552 -0.2450 0.5373 0.049 Uiso 1 1 calc R . .
H14B H 0.1594 -0.1330 0.5532 0.049 Uiso 1 1 calc R . .
H14C H 0.1893 -0.2243 0.6281 0.049 Uiso 1 1 calc R . .
C15 C 0.5115(3) 0.0676(2) 0.54201(13) 0.0232(4) Uani 1 1 d . . .
H15A H 0.4573 0.1331 0.5206 0.028 Uiso 1 1 calc R . .
H15B H 0.6315 0.1412 0.5640 0.028 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'
P P 0.1023 0.0942 '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
P2 Fe1 P4 151.12(3) . . ?
P2 Fe1 P3 83.28(2) . . ?
P4 Fe1 P3 90.06(2) . . ?
P2 Fe1 P1 102.60(2) . . ?
P4 Fe1 P1 106.25(2) . . ?
P3 Fe1 P1 101.11(2) . . ?
P2 Fe1 P5 91.76(3) . . ?
P4 Fe1 P5 82.14(2) . . ?
P3 Fe1 P5 154.23(3) . . ?
P1 Fe1 P5 104.65(2) . . ?
C13 P1 C14 95.90(11) . . ?
C13 P1 C15 97.35(10) . . ?
C14 P1 C15 99.79(10) . . ?
C13 P1 Fe1 121.74(8) . . ?
C14 P1 Fe1 119.46(8) . . ?
C15 P1 Fe1 117.69(6) . . ?
C6 P2 C4 100.28(12) . . ?
C6 P2 C5 97.57(13) . . ?
C4 P2 C5 97.78(12) . . ?
C6 P2 Fe1 123.08(9) . . ?
C4 P2 Fe1 110.67(8) . . ?
C5 P2 Fe1 122.73(9) . . ?
C1 P3 C2 96.44(13) . . ?
C1 P3 C3 97.62(11) . . ?
C2 P3 C3 100.29(12) . . ?
C1 P3 Fe1 122.89(9) . . ?
C2 P3 Fe1 121.86(9) . . ?
C3 P3 Fe1 113.01(8) . . ?
C10 P4 C11 98.65(11) . . ?
C10 P4 C12 99.77(11) . . ?
C11 P4 C12 97.25(11) . . ?
C10 P4 Fe1 109.76(8) . . ?
C11 P4 Fe1 120.21(8) . . ?
C12 P4 Fe1 126.33(8) . . ?
C8 P5 C7 95.64(12) . . ?
C8 P5 C9 98.62(12) . . ?
C7 P5 C9 98.28(12) . . ?
C8 P5 Fe1 121.63(9) . . ?
C7 P5 Fe1 125.06(9) . . ?
C9 P5 Fe1 112.40(8) . . ?
P3 C1 H1A 109.5 . . ?
P3 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
P3 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
P3 C2 H2A 109.5 . . ?
P3 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
P3 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 P3 109.69(15) . . ?
C4 C3 H3A 109.7 . . ?
P3 C3 H3A 109.7 . . ?
C4 C3 H3B 109.7 . . ?
P3 C3 H3B 109.7 . . ?
H3A C3 H3B 108.2 . . ?
C3 C4 P2 106.68(15) . . ?
C3 C4 H4A 110.4 . . ?
P2 C4 H4A 110.4 . . ?
C3 C4 H4B 110.4 . . ?
P2 C4 H4B 110.4 . . ?
H4A C4 H4B 108.6 . . ?
P2 C5 H5A 109.5 . . ?
P2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
P2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
P2 C6 H6A 109.5 . . ?
P2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
P2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
P5 C7 H7A 109.5 . . ?
P5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
P5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
P5 C8 H8A 109.5 . . ?
P5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
P5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 P5 109.55(16) . . ?
C10 C9 H9A 109.8 . . ?
P5 C9 H9A 109.8 . . ?
C10 C9 H9B 109.8 . . ?
P5 C9 H9B 109.8 . . ?
H9A C9 H9B 108.2 . . ?
C9 C10 P4 106.28(16) . . ?
C9 C10 H10A 110.5 . . ?
P4 C10 H10A 110.5 . . ?
C9 C10 H10B 110.5 . . ?
P4 C10 H10B 110.5 . . ?
H10A C10 H10B 108.7 . . ?
P4 C11 H11A 109.5 . . ?
P4 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
P4 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
P4 C12 H12A 109.5 . . ?
P4 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
P4 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
P1 C13 H13A 109.5 . . ?
P1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
P1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
P1 C14 H14A 109.5 . . ?
P1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
P1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C15 C15 P1 120.05(18) 2_656 . ?
C15 C15 H15A 107.3 2_656 . ?
P1 C15 H15A 107.3 . . ?
C15 C15 H15B 107.3 2_656 . ?
P1 C15 H15B 107.3 . . ?
H15A C15 H15B 106.9 . . ?
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 P2 2.1580(6) . ?
Fe1 P4 2.1625(6) . ?
Fe1 P3 2.1655(6) . ?
Fe1 P1 2.1736(6) . ?
Fe1 P5 2.1811(6) . ?
P1 C13 1.845(2) . ?
P1 C14 1.853(2) . ?
P1 C15 1.858(2) . ?
P2 C6 1.841(2) . ?
P2 C4 1.849(2) . ?
P2 C5 1.853(2) . ?
P3 C1 1.850(2) . ?
P3 C2 1.855(2) . ?
P3 C3 1.871(2) . ?
P4 C10 1.838(2) . ?
P4 C11 1.853(2) . ?
P4 C12 1.853(2) . ?
P5 C8 1.848(2) . ?
P5 C7 1.856(2) . ?
P5 C9 1.876(3) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.514(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.519(3) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C15 1.535(4) 2_656 ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
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
P2 Fe1 P1 C13 -86.64(10) . . . . ?
P4 Fe1 P1 C13 94.49(10) . . . . ?
P3 Fe1 P1 C13 -172.16(9) . . . . ?
P5 Fe1 P1 C13 8.57(10) . . . . ?
P2 Fe1 P1 C14 32.58(9) . . . . ?
P4 Fe1 P1 C14 -146.29(9) . . . . ?
P3 Fe1 P1 C14 -52.94(9) . . . . ?
P5 Fe1 P1 C14 127.79(9) . . . . ?
P2 Fe1 P1 C15 153.71(8) . . . . ?
P4 Fe1 P1 C15 -25.15(8) . . . . ?
P3 Fe1 P1 C15 68.20(8) . . . . ?
P5 Fe1 P1 C15 -111.07(8) . . . . ?
P4 Fe1 P2 C6 -134.08(12) . . . . ?
P3 Fe1 P2 C6 148.11(11) . . . . ?
P1 Fe1 P2 C6 48.18(11) . . . . ?
P5 Fe1 P2 C6 -57.26(11) . . . . ?
P4 Fe1 P2 C4 107.67(9) . . . . ?
P3 Fe1 P2 C4 29.87(8) . . . . ?
P1 Fe1 P2 C4 -70.07(8) . . . . ?
P5 Fe1 P2 C4 -175.50(8) . . . . ?
P4 Fe1 P2 C5 -6.81(13) . . . . ?
P3 Fe1 P2 C5 -84.61(11) . . . . ?
P1 Fe1 P2 C5 175.45(11) . . . . ?
P5 Fe1 P2 C5 70.02(11) . . . . ?
P2 Fe1 P3 C1 105.03(11) . . . . ?
P4 Fe1 P3 C1 -46.80(11) . . . . ?
P1 Fe1 P3 C1 -153.39(11) . . . . ?
P5 Fe1 P3 C1 24.99(13) . . . . ?
P2 Fe1 P3 C2 -130.97(11) . . . . ?
P4 Fe1 P3 C2 77.20(11) . . . . ?
P1 Fe1 P3 C2 -29.38(11) . . . . ?
P5 Fe1 P3 C2 149.00(11) . . . . ?
P2 Fe1 P3 C3 -11.46(10) . . . . ?
P4 Fe1 P3 C3 -163.30(10) . . . . ?
P1 Fe1 P3 C3 90.12(10) . . . . ?
P5 Fe1 P3 C3 -91.50(11) . . . . ?
P2 Fe1 P4 C10 114.53(9) . . . . ?
P3 Fe1 P4 C10 -169.37(9) . . . . ?
P1 Fe1 P4 C10 -67.77(9) . . . . ?
P5 Fe1 P4 C10 35.27(9) . . . . ?
P2 Fe1 P4 C11 1.31(11) . . . . ?
P3 Fe1 P4 C11 77.41(10) . . . . ?
P1 Fe1 P4 C11 179.01(9) . . . . ?
P5 Fe1 P4 C11 -77.95(10) . . . . ?
P2 Fe1 P4 C12 -126.26(11) . . . . ?
P3 Fe1 P4 C12 -50.15(10) . . . . ?
P1 Fe1 P4 C12 51.45(10) . . . . ?
P5 Fe1 P4 C12 154.49(10) . . . . ?
P2 Fe1 P5 C8 -52.29(11) . . . . ?
P4 Fe1 P5 C8 99.38(11) . . . . ?
P3 Fe1 P5 C8 25.85(13) . . . . ?
P1 Fe1 P5 C8 -155.80(11) . . . . ?
P2 Fe1 P5 C7 72.69(12) . . . . ?
P4 Fe1 P5 C7 -135.65(12) . . . . ?
P3 Fe1 P5 C7 150.82(12) . . . . ?
P1 Fe1 P5 C7 -30.82(12) . . . . ?
P2 Fe1 P5 C9 -168.67(10) . . . . ?
P4 Fe1 P5 C9 -17.01(10) . . . . ?
P3 Fe1 P5 C9 -90.54(11) . . . . ?
P1 Fe1 P5 C9 87.82(10) . . . . ?
C1 P3 C3 C4 -143.84(19) . . . . ?
C2 P3 C3 C4 118.15(19) . . . . ?
Fe1 P3 C3 C4 -13.1(2) . . . . ?
P3 C3 C4 P2 34.5(2) . . . . ?
C6 P2 C4 C3 -177.05(17) . . . . ?
C5 P2 C4 C3 83.74(18) . . . . ?
Fe1 P2 C4 C3 -45.66(17) . . . . ?
C8 P5 C9 C10 -137.75(19) . . . . ?
C7 P5 C9 C10 125.21(19) . . . . ?
Fe1 P5 C9 C10 -8.2(2) . . . . ?
P5 C9 C10 P4 33.8(2) . . . . ?
C11 P4 C10 C9 76.90(18) . . . . ?
C12 P4 C10 C9 175.87(16) . . . . ?
Fe1 P4 C10 C9 -49.65(18) . . . . ?
C13 P1 C15 C15 56.9(2) . . . 2_656 ?
C14 P1 C15 C15 -40.4(2) . . . 2_656 ?
Fe1 P1 C15 C15 -171.28(19) . . . 2_656 ?
