#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:40:12 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178528 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/33/4063395.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_4063395
loop_
_publ_author_name
'Siebler, Daniel'
'Förster, Christoph'
'Gasi, Teuta'
'Heinze, Katja'
_publ_section_title
;
 Biferrocene Amino Acid, a Ferrocenylogoue of Ferrocene Amino Acid:
 Synthesis, Cross-Linking, and Redox Chemistry
;
_journal_issue                   2
_journal_name_full               Organometallics
_journal_page_first              313
_journal_page_last               327
_journal_paper_doi               10.1021/om1010808
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         'C22 H16 Fe2 N6 O2'
_chemical_formula_sum            'C22 H16 Fe2 N6 O2'
_chemical_formula_weight         508.11
_chemical_melting_point_gt       403
_chemical_name_common
'1',1'''-dicarboxylic acid diazide biferrocene'
_chemical_name_systematic
; 
 1',1'''-dicarboxylic acid diazide biferrocene
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 109.365(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.6204(3)
_cell_length_b                   10.2339(3)
_cell_length_c                   10.5828(3)
_cell_measurement_temperature    173(2)
_cell_volume                     982.97(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0462
_diffrn_reflns_av_sigmaI/netI    0.0296
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_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            10349
_diffrn_reflns_theta_full        27.94
_diffrn_reflns_theta_max         27.94
_diffrn_reflns_theta_min         2.48
_exptl_absorpt_coefficient_mu    1.511
_exptl_absorpt_correction_T_max  1.26483
_exptl_absorpt_correction_T_min  0.85614
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   MULABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.717
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             516
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.379
_refine_diff_density_min         -0.285
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     145
_refine_ls_number_reflns         2356
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0350
_refine_ls_R_factor_gt           0.0287
_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)+(0.0490P)²+0.0933P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0714
_refine_ls_wR_factor_ref         0.0747
_reflns_number_gt                2041
_reflns_number_total             2356
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om1010808_si_003.cif
_cod_data_source_block           ds10
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_melting_point_gt' since the value was specified 'more
than' ('>') a certain temperature. The value '>403' was changed to
'403' - it should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4063395
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 0.22026(2) 0.86482(2) 0.48652(2) 0.01526(9) Uani 1 1 d . . .
C1 C 0.15213(18) 0.69069(15) 0.53780(17) 0.0194(3) Uani 1 1 d . . .
C2 C 0.29363(19) 0.72520(15) 0.63079(17) 0.0215(3) Uani 1 1 d . . .
H2 H 0.3183 0.7382 0.7295 0.026 Uiso 1 1 calc R . .
C3 C 0.39279(19) 0.73620(15) 0.55702(17) 0.0222(3) Uani 1 1 d . . .
H3 H 0.4993 0.7605 0.5950 0.027 Uiso 1 1 calc R . .
C4 C 0.3140(2) 0.71041(16) 0.41928(18) 0.0233(4) Uani 1 1 d . . .
H4 H 0.3556 0.7133 0.3444 0.028 Uiso 1 1 calc R . .
C5 C 0.16463(19) 0.68256(16) 0.40659(17) 0.0207(3) Uani 1 1 d . . .
H5 H 0.0834 0.6612 0.3217 0.025 Uiso 1 1 calc R . .
C6 C 0.06925(18) 1.00916(14) 0.48648(16) 0.0186(3) Uani 1 1 d . . .
C7 C 0.21010(19) 1.03542(16) 0.58376(19) 0.0235(4) Uani 1 1 d . . .
H7 H 0.2309 1.0452 0.6823 0.028 Uiso 1 1 calc R . .
C8 C 0.3161(2) 1.04558(17) 0.51656(19) 0.0267(4) Uani 1 1 d . . .
H8 H 0.4236 1.0643 0.5595 0.032 Uiso 1 1 calc R . .
C9 C 0.2415(2) 1.02327(17) 0.37713(19) 0.0279(4) Uani 1 1 d . . .
H9 H 0.2878 1.0235 0.3053 0.034 Uiso 1 1 calc R . .
C10 C 0.0895(2) 1.00048(16) 0.35811(18) 0.0234(4) Uani 1 1 d . . .
H10 H 0.0110 0.9813 0.2708 0.028 Uiso 1 1 calc R . .
C11 C 0.01765(19) 0.67384(15) 0.57248(18) 0.0218(3) Uani 1 1 d . . .
O1 O 0.00923(15) 0.68262(14) 0.68359(13) 0.0337(3) Uani 1 1 d . . .
N1 N -0.10539(18) 0.64383(14) 0.45606(17) 0.0274(3) Uani 1 1 d . . .
N2 N -0.22260(19) 0.62898(14) 0.4824(2) 0.0327(4) Uani 1 1 d . . .
N3 N -0.3313(2) 0.61310(19) 0.4954(3) 0.0550(6) Uani 1 1 d . . .
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'
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
C1 Fe1 C2 41.25(7) . . ?
C1 Fe1 C9 161.63(8) . . ?
C2 Fe1 C9 155.01(7) . . ?
C1 Fe1 C8 156.95(7) . . ?
C2 Fe1 C8 119.44(7) . . ?
C9 Fe1 C8 40.94(8) . . ?
C1 Fe1 C5 41.21(7) . . ?
C2 Fe1 C5 69.43(7) . . ?
C9 Fe1 C5 123.48(7) . . ?
C8 Fe1 C5 158.83(7) . . ?
C1 Fe1 C7 122.70(7) . . ?
C2 Fe1 C7 106.49(7) . . ?
C9 Fe1 C7 68.77(8) . . ?
C8 Fe1 C7 40.86(7) . . ?
C5 Fe1 C7 159.59(7) . . ?
C1 Fe1 C10 126.00(7) . . ?
C2 Fe1 C10 162.33(7) . . ?
C9 Fe1 C10 40.79(7) . . ?
C8 Fe1 C10 68.72(7) . . ?
C5 Fe1 C10 108.90(7) . . ?
C7 Fe1 C10 68.60(7) . . ?
C1 Fe1 C3 68.58(7) . . ?
C2 Fe1 C3 40.69(6) . . ?
C9 Fe1 C3 119.59(7) . . ?
C8 Fe1 C3 104.76(7) . . ?
C5 Fe1 C3 68.59(7) . . ?
C7 Fe1 C3 122.12(7) . . ?
C10 Fe1 C3 156.40(7) . . ?
C1 Fe1 C4 68.69(7) . . ?
C2 Fe1 C4 68.80(7) . . ?
C9 Fe1 C4 106.01(7) . . ?
C8 Fe1 C4 121.43(7) . . ?
C5 Fe1 C4 40.68(7) . . ?
C7 Fe1 C4 158.16(7) . . ?
C10 Fe1 C4 122.14(7) . . ?
C3 Fe1 C4 40.59(7) . . ?
C1 Fe1 C6 109.68(6) . . ?
C2 Fe1 C6 124.65(7) . . ?
C9 Fe1 C6 68.64(7) . . ?
C8 Fe1 C6 68.59(7) . . ?
C5 Fe1 C6 124.26(7) . . ?
C7 Fe1 C6 40.62(7) . . ?
C10 Fe1 C6 40.78(6) . . ?
C3 Fe1 C6 159.83(7) . . ?
C4 Fe1 C6 159.11(7) . . ?
C2 C1 C5 108.24(14) . . ?
C2 C1 C11 124.90(15) . . ?
C5 C1 C11 126.78(16) . . ?
C2 C1 Fe1 69.57(9) . . ?
C5 C1 Fe1 69.81(9) . . ?
C11 C1 Fe1 123.96(11) . . ?
C3 C2 C1 107.42(15) . . ?
C3 C2 Fe1 70.27(9) . . ?
C1 C2 Fe1 69.18(9) . . ?
C2 C3 C4 108.65(15) . . ?
C2 C3 Fe1 69.04(9) . . ?
C4 C3 Fe1 69.87(9) . . ?
C5 C4 C3 108.10(15) . . ?
C5 C4 Fe1 69.11(9) . . ?
C3 C4 Fe1 69.54(9) . . ?
C4 C5 C1 107.58(15) . . ?
C4 C5 Fe1 70.22(10) . . ?
C1 C5 Fe1 68.98(9) . . ?
C7 C6 C10 107.39(15) . . ?
C7 C6 C6 126.15(19) . 3_576 ?
C10 C6 C6 126.4(2) . 3_576 ?
C7 C6 Fe1 68.69(9) . . ?
C10 C6 Fe1 68.98(9) . . ?
C6 C6 Fe1 126.30(14) 3_576 . ?
C8 C7 C6 108.55(15) . . ?
C8 C7 Fe1 69.53(9) . . ?
C6 C7 Fe1 70.68(9) . . ?
C7 C8 C9 107.80(16) . . ?
C7 C8 Fe1 69.61(10) . . ?
C9 C8 Fe1 69.43(10) . . ?
C10 C9 C8 108.17(16) . . ?
C10 C9 Fe1 70.10(9) . . ?
C8 C9 Fe1 69.63(10) . . ?
C9 C10 C6 108.08(16) . . ?
C9 C10 Fe1 69.11(10) . . ?
C6 C10 Fe1 70.24(9) . . ?
O1 C11 N1 123.42(17) . . ?
O1 C11 C1 125.71(17) . . ?
N1 C11 C1 110.87(15) . . ?
N2 N1 C11 112.45(17) . . ?
N3 N2 N1 174.5(3) . . ?
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 C1 2.0336(16) . ?
Fe1 C2 2.0387(16) . ?
Fe1 C9 2.0416(17) . ?
Fe1 C8 2.0443(18) . ?
Fe1 C5 2.0447(16) . ?
Fe1 C7 2.0453(16) . ?
Fe1 C10 2.0548(16) . ?
Fe1 C3 2.0550(16) . ?
Fe1 C4 2.0595(16) . ?
Fe1 C6 2.0717(15) . ?
C1 C2 1.434(2) . ?
C1 C5 1.435(2) . ?
C1 C11 1.467(2) . ?
C2 C3 1.423(2) . ?
C3 C4 1.427(2) . ?
C4 C5 1.427(2) . ?
C6 C7 1.429(2) . ?
C6 C10 1.438(2) . ?
C6 C6 1.465(3) 3_576 ?
C7 C8 1.428(2) . ?
C8 C9 1.429(3) . ?
C9 C10 1.427(3) . ?
C11 O1 1.208(2) . ?
C11 N1 1.430(2) . ?
N1 N2 1.257(2) . ?
N2 N3 1.111(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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C9 Fe1 C1 C2 158.1(2) . . . . ?
C8 Fe1 C1 C2 -39.1(2) . . . . ?
C5 Fe1 C1 C2 119.54(14) . . . . ?
C7 Fe1 C1 C2 -77.27(12) . . . . ?
C10 Fe1 C1 C2 -163.29(10) . . . . ?
C3 Fe1 C1 C2 38.00(10) . . . . ?
C4 Fe1 C1 C2 81.73(10) . . . . ?
C6 Fe1 C1 C2 -120.52(10) . . . . ?
C2 Fe1 C1 C5 -119.54(14) . . . . ?
C9 Fe1 C1 C5 38.6(2) . . . . ?
C8 Fe1 C1 C5 -158.65(17) . . . . ?
C7 Fe1 C1 C5 163.20(10) . . . . ?
C10 Fe1 C1 C5 77.18(11) . . . . ?
C3 Fe1 C1 C5 -81.54(10) . . . . ?
C4 Fe1 C1 C5 -37.80(10) . . . . ?
C6 Fe1 C1 C5 119.94(10) . . . . ?
C2 Fe1 C1 C11 119.03(18) . . . . ?
C9 Fe1 C1 C11 -82.8(3) . . . . ?
C8 Fe1 C1 C11 79.9(2) . . . . ?
C5 Fe1 C1 C11 -121.43(19) . . . . ?
C7 Fe1 C1 C11 41.76(17) . . . . ?
C10 Fe1 C1 C11 -44.26(17) . . . . ?
C3 Fe1 C1 C11 157.03(16) . . . . ?
C4 Fe1 C1 C11 -159.24(17) . . . . ?
C6 Fe1 C1 C11 -1.49(16) . . . . ?
C5 C1 C2 C3 -0.85(18) . . . . ?
C11 C1 C2 C3 -177.98(15) . . . . ?
Fe1 C1 C2 C3 -60.14(11) . . . . ?
C5 C1 C2 Fe1 59.29(11) . . . . ?
C11 C1 C2 Fe1 -117.84(15) . . . . ?
C1 Fe1 C2 C3 118.46(14) . . . . ?
C9 Fe1 C2 C3 -45.4(2) . . . . ?
C8 Fe1 C2 C3 -78.01(11) . . . . ?
C5 Fe1 C2 C3 80.71(10) . . . . ?
C7 Fe1 C2 C3 -120.41(10) . . . . ?
C10 Fe1 C2 C3 168.5(2) . . . . ?
C4 Fe1 C2 C3 37.04(10) . . . . ?
C6 Fe1 C2 C3 -161.15(10) . . . . ?
C9 Fe1 C2 C1 -163.86(15) . . . . ?
C8 Fe1 C2 C1 163.52(10) . . . . ?
C5 Fe1 C2 C1 -37.75(10) . . . . ?
C7 Fe1 C2 C1 121.13(10) . . . . ?
C10 Fe1 C2 C1 50.0(3) . . . . ?
C3 Fe1 C2 C1 -118.46(14) . . . . ?
C4 Fe1 C2 C1 -81.43(10) . . . . ?
C6 Fe1 C2 C1 80.38(11) . . . . ?
C1 C2 C3 C4 0.66(18) . . . . ?
Fe1 C2 C3 C4 -58.79(12) . . . . ?
C1 C2 C3 Fe1 59.45(11) . . . . ?
C1 Fe1 C3 C2 -38.51(10) . . . . ?
C9 Fe1 C3 C2 159.76(10) . . . . ?
C8 Fe1 C3 C2 118.24(10) . . . . ?
C5 Fe1 C3 C2 -82.93(10) . . . . ?
C7 Fe1 C3 C2 77.53(12) . . . . ?
C10 Fe1 C3 C2 -171.31(16) . . . . ?
C4 Fe1 C3 C2 -120.33(14) . . . . ?
C6 Fe1 C3 C2 50.4(2) . . . . ?
C1 Fe1 C3 C4 81.82(10) . . . . ?
C2 Fe1 C3 C4 120.33(14) . . . . ?
C9 Fe1 C3 C4 -79.91(12) . . . . ?
C8 Fe1 C3 C4 -121.43(10) . . . . ?
C5 Fe1 C3 C4 37.40(10) . . . . ?
C7 Fe1 C3 C4 -162.14(10) . . . . ?
C10 Fe1 C3 C4 -51.0(2) . . . . ?
C6 Fe1 C3 C4 170.76(17) . . . . ?
C2 C3 C4 C5 -0.22(19) . . . . ?
Fe1 C3 C4 C5 -58.50(11) . . . . ?
C2 C3 C4 Fe1 58.28(11) . . . . ?
C1 Fe1 C4 C5 38.29(10) . . . . ?
C2 Fe1 C4 C5 82.70(11) . . . . ?
C9 Fe1 C4 C5 -123.13(11) . . . . ?
C8 Fe1 C4 C5 -164.92(10) . . . . ?
C7 Fe1 C4 C5 164.13(17) . . . . ?
C10 Fe1 C4 C5 -81.72(12) . . . . ?
C3 Fe1 C4 C5 119.83(14) . . . . ?
C6 Fe1 C4 C5 -51.2(2) . . . . ?
C1 Fe1 C4 C3 -81.54(10) . . . . ?
C2 Fe1 C4 C3 -37.13(10) . . . . ?
C9 Fe1 C4 C3 117.04(11) . . . . ?
C8 Fe1 C4 C3 75.25(11) . . . . ?
C5 Fe1 C4 C3 -119.83(14) . . . . ?
C7 Fe1 C4 C3 44.3(2) . . . . ?
C10 Fe1 C4 C3 158.46(10) . . . . ?
C6 Fe1 C4 C3 -171.07(16) . . . . ?
C3 C4 C5 C1 -0.31(18) . . . . ?
Fe1 C4 C5 C1 -59.08(11) . . . . ?
C3 C4 C5 Fe1 58.77(11) . . . . ?
C2 C1 C5 C4 0.72(18) . . . . ?
C11 C1 C5 C4 177.78(15) . . . . ?
Fe1 C1 C5 C4 59.86(11) . . . . ?
C2 C1 C5 Fe1 -59.14(11) . . . . ?
C11 C1 C5 Fe1 117.92(16) . . . . ?
C1 Fe1 C5 C4 -118.82(14) . . . . ?
C2 Fe1 C5 C4 -81.04(11) . . . . ?
C9 Fe1 C5 C4 74.81(13) . . . . ?
C8 Fe1 C5 C4 37.9(2) . . . . ?
C7 Fe1 C5 C4 -163.04(18) . . . . ?
C10 Fe1 C5 C4 117.66(11) . . . . ?
C3 Fe1 C5 C4 -37.32(10) . . . . ?
C6 Fe1 C5 C4 160.34(10) . . . . ?
C2 Fe1 C5 C1 37.79(10) . . . . ?
C9 Fe1 C5 C1 -166.37(10) . . . . ?
C8 Fe1 C5 C1 156.75(19) . . . . ?
C7 Fe1 C5 C1 -44.2(2) . . . . ?
C10 Fe1 C5 C1 -123.51(10) . . . . ?
C3 Fe1 C5 C1 81.50(10) . . . . ?
C4 Fe1 C5 C1 118.82(14) . . . . ?
C6 Fe1 C5 C1 -80.84(11) . . . . ?
C1 Fe1 C6 C7 117.67(11) . . . . ?
C2 Fe1 C6 C7 74.00(12) . . . . ?
C9 Fe1 C6 C7 -81.88(12) . . . . ?
C8 Fe1 C6 C7 -37.76(10) . . . . ?
C5 Fe1 C6 C7 161.36(10) . . . . ?
C10 Fe1 C6 C7 -119.57(14) . . . . ?
C3 Fe1 C6 C7 36.4(2) . . . . ?
C4 Fe1 C6 C7 -160.69(17) . . . . ?
C1 Fe1 C6 C10 -122.76(11) . . . . ?
C2 Fe1 C6 C10 -166.42(10) . . . . ?
C9 Fe1 C6 C10 37.69(11) . . . . ?
C8 Fe1 C6 C10 81.82(11) . . . . ?
C5 Fe1 C6 C10 -79.06(12) . . . . ?
C7 Fe1 C6 C10 119.57(14) . . . . ?
C3 Fe1 C6 C10 155.93(17) . . . . ?
C4 Fe1 C6 C10 -41.1(2) . . . . ?
C1 Fe1 C6 C6 -2.3(2) . . . 3_576 ?
C2 Fe1 C6 C6 -45.9(2) . . . 3_576 ?
C9 Fe1 C6 C6 158.2(2) . . . 3_576 ?
C8 Fe1 C6 C6 -157.7(2) . . . 3_576 ?
C5 Fe1 C6 C6 41.4(2) . . . 3_576 ?
C7 Fe1 C6 C6 -119.9(2) . . . 3_576 ?
C10 Fe1 C6 C6 120.5(2) . . . 3_576 ?
C3 Fe1 C6 C6 -83.6(3) . . . 3_576 ?
C4 Fe1 C6 C6 79.4(3) . . . 3_576 ?
C10 C6 C7 C8 1.15(18) . . . . ?
C6 C6 C7 C8 179.57(19) 3_576 . . . ?
Fe1 C6 C7 C8 59.44(11) . . . . ?
C10 C6 C7 Fe1 -58.29(11) . . . . ?
C6 C6 C7 Fe1 120.1(2) 3_576 . . . ?
C1 Fe1 C7 C8 158.30(11) . . . . ?
C2 Fe1 C7 C8 116.18(11) . . . . ?
C9 Fe1 C7 C8 -37.86(11) . . . . ?
C5 Fe1 C7 C8 -168.61(19) . . . . ?
C10 Fe1 C7 C8 -81.79(11) . . . . ?
C3 Fe1 C7 C8 74.58(12) . . . . ?
C4 Fe1 C7 C8 42.1(2) . . . . ?
C6 Fe1 C7 C8 -119.38(14) . . . . ?
C1 Fe1 C7 C6 -82.31(11) . . . . ?
C2 Fe1 C7 C6 -124.44(10) . . . . ?
C9 Fe1 C7 C6 81.53(11) . . . . ?
C8 Fe1 C7 C6 119.38(14) . . . . ?
C5 Fe1 C7 C6 -49.2(2) . . . . ?
C10 Fe1 C7 C6 37.60(10) . . . . ?
C3 Fe1 C7 C6 -166.04(9) . . . . ?
C4 Fe1 C7 C6 161.52(17) . . . . ?
C6 C7 C8 C9 -1.02(19) . . . . ?
Fe1 C7 C8 C9 59.13(12) . . . . ?
C6 C7 C8 Fe1 -60.15(11) . . . . ?
C1 Fe1 C8 C7 -52.6(2) . . . . ?
C2 Fe1 C8 C7 -81.14(12) . . . . ?
C9 Fe1 C8 C7 119.20(15) . . . . ?
C5 Fe1 C8 C7 169.00(18) . . . . ?
C10 Fe1 C8 C7 81.48(11) . . . . ?
C3 Fe1 C8 C7 -122.40(11) . . . . ?
C4 Fe1 C8 C7 -162.99(10) . . . . ?
C6 Fe1 C8 C7 37.54(10) . . . . ?
C1 Fe1 C8 C9 -171.81(16) . . . . ?
C2 Fe1 C8 C9 159.66(10) . . . . ?
C5 Fe1 C8 C9 49.8(2) . . . . ?
C7 Fe1 C8 C9 -119.20(15) . . . . ?
C10 Fe1 C8 C9 -37.72(10) . . . . ?
C3 Fe1 C8 C9 118.40(11) . . . . ?
C4 Fe1 C8 C9 77.81(12) . . . . ?
C6 Fe1 C8 C9 -81.65(11) . . . . ?
C7 C8 C9 C10 0.49(19) . . . . ?
Fe1 C8 C9 C10 59.73(12) . . . . ?
C7 C8 C9 Fe1 -59.24(12) . . . . ?
C1 Fe1 C9 C10 50.6(3) . . . . ?
C2 Fe1 C9 C10 -164.98(14) . . . . ?
C8 Fe1 C9 C10 -119.22(15) . . . . ?
C5 Fe1 C9 C10 80.09(12) . . . . ?
C7 Fe1 C9 C10 -81.44(11) . . . . ?
C3 Fe1 C9 C10 162.76(10) . . . . ?
C4 Fe1 C9 C10 120.97(11) . . . . ?
C6 Fe1 C9 C10 -37.69(10) . . . . ?
C1 Fe1 C9 C8 169.80(19) . . . . ?
C2 Fe1 C9 C8 -45.8(2) . . . . ?
C5 Fe1 C9 C8 -160.68(10) . . . . ?
C7 Fe1 C9 C8 37.79(10) . . . . ?
C10 Fe1 C9 C8 119.22(15) . . . . ?
C3 Fe1 C9 C8 -78.02(12) . . . . ?
C4 Fe1 C9 C8 -119.81(11) . . . . ?
C6 Fe1 C9 C8 81.53(11) . . . . ?
C8 C9 C10 C6 0.22(19) . . . . ?
Fe1 C9 C10 C6 59.66(11) . . . . ?
C8 C9 C10 Fe1 -59.44(12) . . . . ?
C7 C6 C10 C9 -0.84(18) . . . . ?
C6 C6 C10 C9 -179.25(19) 3_576 . . . ?
Fe1 C6 C10 C9 -58.95(11) . . . . ?
C7 C6 C10 Fe1 58.11(11) . . . . ?
C6 C6 C10 Fe1 -120.3(2) 3_576 . . . ?
C1 Fe1 C10 C9 -162.49(11) . . . . ?
C2 Fe1 C10 C9 158.9(2) . . . . ?
C8 Fe1 C10 C9 37.86(11) . . . . ?
C5 Fe1 C10 C9 -119.72(11) . . . . ?
C7 Fe1 C10 C9 81.88(12) . . . . ?
C3 Fe1 C10 C9 -40.1(2) . . . . ?
C4 Fe1 C10 C9 -76.74(13) . . . . ?
C6 Fe1 C10 C9 119.34(15) . . . . ?
C1 Fe1 C10 C6 78.17(12) . . . . ?
C2 Fe1 C10 C6 39.5(3) . . . . ?
C9 Fe1 C10 C6 -119.34(15) . . . . ?
C8 Fe1 C10 C6 -81.48(10) . . . . ?
C5 Fe1 C10 C6 120.94(10) . . . . ?
C7 Fe1 C10 C6 -37.46(10) . . . . ?
C3 Fe1 C10 C6 -159.43(15) . . . . ?
C4 Fe1 C10 C6 163.92(10) . . . . ?
C2 C1 C11 O1 -2.5(3) . . . . ?
C5 C1 C11 O1 -179.07(16) . . . . ?
Fe1 C1 C11 O1 -90.0(2) . . . . ?
C2 C1 C11 N1 178.05(15) . . . . ?
C5 C1 C11 N1 1.5(2) . . . . ?
Fe1 C1 C11 N1 90.53(16) . . . . ?
O1 C11 N1 N2 0.6(2) . . . . ?
C1 C11 N1 N2 -179.89(14) . . . . ?
C11 N1 N2 N3 -175(2) . . . . ?
