#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:48:26 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179348 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/45/4324598.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_4324598
loop_
_publ_author_name
'Stephen M. Mansell'
'Rolfe H. Herber'
'Israel Nowik'
'Douglas H. Ross'
'Christopher A. Russell'
'Duncan F. Wass'
_publ_contact_author
; 
    Dr. Chris Russell 
    School of Chemistry
    University of Bristol
    Cantock's Close
    BS8 1TS Bristol
    UK
;
_publ_contact_author_email
;
Chris.Russell@bristol.ac.uk
;
_publ_contact_author_fax         '0117 9290509'
_publ_contact_author_phone       '0117 9287655'
_publ_section_title
;
 Coordination Chemistry of N-Heterocyclic Stannylenes: A Combined
 Synthetic and Mössbauer Spectroscopy Study
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2252
_journal_page_last               2263
_journal_paper_doi               10.1021/ic101920x
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C34 H38 Fe2 N2 O8 Sn'
_chemical_formula_sum            'C34 H38 Fe2 N2 O8 Sn'
_chemical_formula_weight         833.05
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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                 112.1130(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.7677(3)
_cell_length_b                   18.7855(6)
_cell_length_c                   10.3823(3)
_cell_measurement_reflns_used    16878
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.3485
_cell_measurement_theta_min      2.2505
_cell_volume                     1764.93(9)
_computing_cell_refinement       'Bruker Apex II'
_computing_data_collection       'Bruker Apex II'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker ShelXTL'
_computing_publication_material  'Bruker ShelXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega and phi 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  0.0388
_diffrn_reflns_av_sigmaI/netI    0.0226
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            27016
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.12
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.564
_exptl_absorpt_correction_T_max  0.855
_exptl_absorpt_correction_T_min  0.690
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2008/1 - Bruker AXS'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_description       Block
_exptl_crystal_F_000             844
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.416
_refine_diff_density_min         -1.072
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.629
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     242
_refine_ls_number_reflns         4176
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.629
_refine_ls_R_factor_all          0.0330
_refine_ls_R_factor_gt           0.0300
_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)+(0.0858P)²+6.9525P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0769
_refine_ls_wR_factor_ref         0.0837
_reflns_number_gt                3848
_reflns_number_total             4176
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic101920x_si_001_3.cif
_cod_data_source_block           4
_cod_database_code               4324598
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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
Sn1 Sn 0.859176(19) 0.2500 0.749409(19) 0.01389(8) Uani 1 2 d S
N1 N 0.6966(2) 0.17787(9) 0.66436(19) 0.0172(3) Uani 1 1 d .
C1 C 0.7105(2) 0.10330(11) 0.6449(2) 0.0166(4) Uani 1 1 d .
C2 C 0.6851(2) 0.05464(11) 0.7366(2) 0.0168(4) Uani 1 1 d .
C3 C 0.6963(2) -0.01822(11) 0.7148(2) 0.0208(4) Uani 1 1 d .
H3 H 0.6786 -0.0515 0.7758 0.025 Uiso 1 1 calc R
C4 C 0.7325(3) -0.04279(12) 0.6063(3) 0.0292(5) Uani 1 1 d .
H4 H 0.7391 -0.0925 0.5925 0.035 Uiso 1 1 calc R
C5 C 0.7590(4) 0.00535(14) 0.5181(3) 0.0425(8) Uani 1 1 d .
H5 H 0.7847 -0.0119 0.4441 0.051 Uiso 1 1 calc R
C6 C 0.7491(3) 0.07869(13) 0.5346(3) 0.0305(5) Uani 1 1 d .
C7 C 0.6439(3) 0.08035(12) 0.8564(3) 0.0265(5) Uani 1 1 d .
H7 H 0.6887 0.1285 0.8846 0.032 Uiso 1 1 calc R
C8 C 0.7001(3) 0.03240(15) 0.9844(3) 0.0307(5) Uani 1 1 d .
H8A H 0.6492 -0.0136 0.9624 0.046 Uiso 1 1 calc R
H8B H 0.6804 0.0550 1.0608 0.046 Uiso 1 1 calc R
H8C H 0.8067 0.0250 1.0122 0.046 Uiso 1 1 calc R
C9 C 0.4772(4) 0.0879(3) 0.8115(4) 0.0720(15) Uani 1 1 d .
H9A H 0.4394 0.1198 0.7311 0.108 Uiso 1 1 calc R
H9B H 0.4541 0.1077 0.8883 0.108 Uiso 1 1 calc R
H9C H 0.4306 0.0410 0.7863 0.108 Uiso 1 1 calc R
C10 C 0.7722(4) 0.12984(14) 0.4302(3) 0.0407(7) Uani 1 1 d .
H10 H 0.7979 0.1775 0.4761 0.049 Uiso 1 1 calc R
C11 C 0.8984(3) 0.10748(16) 0.3858(3) 0.0340(6) Uani 1 1 d .
H11A H 0.8715 0.0634 0.3317 0.051 Uiso 1 1 calc R
H11B H 0.9880 0.0996 0.4685 0.051 Uiso 1 1 calc R
H11C H 0.9164 0.1451 0.3288 0.051 Uiso 1 1 calc R
C12 C 0.6308(4) 0.1384(2) 0.3032(4) 0.0637(13) Uani 1 1 d .
H12A H 0.6466 0.1730 0.2396 0.095 Uiso 1 1 calc R
H12B H 0.5517 0.1553 0.3320 0.095 Uiso 1 1 calc R
H12C H 0.6027 0.0924 0.2560 0.095 Uiso 1 1 calc R
C13A C 0.5605(6) 0.2164(3) 0.5678(6) 0.0160(10) Uani 0.50 1 d P
H13A H 0.4706 0.1898 0.5614 0.019 Uiso 0.50 1 calc PR
H13B H 0.5630 0.2193 0.4735 0.019 Uiso 0.50 1 calc PR
C13B C 0.5563(6) 0.2091(3) 0.6233(6) 0.0169(10) Uani 0.50 1 d P
H13C H 0.5253 0.2116 0.7037 0.020 Uiso 0.50 1 calc PR
H13D H 0.4835 0.1797 0.5503 0.020 Uiso 0.50 1 calc PR
Fe1 Fe 1.02663(5) 0.2500 1.00911(5) 0.02111(11) Uani 1 2 d S
Fe2 Fe 1.12891(5) 0.2500 0.78098(5) 0.02380(12) Uani 1 2 d S
C14 C 0.8704(4) 0.2500 1.0592(3) 0.0235(6) Uani 1 2 d S
C15 C 1.1958(4) 0.2500 1.1639(4) 0.0347(8) Uani 1 2 d S
C16 C 1.0282(3) 0.15333(16) 1.0037(3) 0.0286(5) Uani 1 1 d .
C17 C 1.3135(4) 0.2500 0.9173(4) 0.0443(11) Uani 1 2 d S
C18 C 1.1508(4) 0.2500 0.6178(4) 0.0316(8) Uani 1 2 d S
C19 C 1.1136(3) 0.15355(17) 0.7685(3) 0.0313(6) Uani 1 1 d .
O1 O 0.7735(3) 0.2500 1.0941(3) 0.0333(6) Uani 1 2 d S
O2 O 1.2970(3) 0.2500 1.2638(3) 0.0533(9) Uani 1 2 d S
O3 O 1.0300(2) 0.09268(11) 1.0073(2) 0.0393(5) Uani 1 1 d .
O4 O 1.4285(3) 0.2500 0.9996(4) 0.0708(13) Uani 1 2 d S
O5 O 1.1691(4) 0.2500 0.5157(3) 0.0448(7) Uani 1 2 d S
O6 O 1.1102(3) 0.09324(12) 0.7561(2) 0.0426(5) 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'
Sn Sn -0.6537 1.4246 '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
N1 Sn1 N1 84.23(10) 4_565 .
N1 Sn1 Fe2 131.74(5) 4_565 .
N1 Sn1 Fe2 131.73(5) . .
N1 Sn1 Fe1 122.87(5) 4_565 .
N1 Sn1 Fe1 122.87(5) . .
Fe2 Sn1 Fe1 69.152(16) . .
C13B N1 C1 120.1(3) . .
C13B N1 C13A 23.7(2) . .
C1 N1 C13A 118.8(3) . .
C13B N1 Sn1 111.7(2) . .
C1 N1 Sn1 128.18(14) . .
C13A N1 Sn1 108.6(2) . .
C2 C1 C6 120.33(19) . .
C2 C1 N1 119.35(19) . .
C6 C1 N1 120.32(19) . .
C3 C2 C1 118.8(2) . .
C3 C2 C7 120.22(19) . .
C1 C2 C7 120.97(19) . .
C4 C3 C2 121.2(2) . .
C4 C3 H3 119.4 . .
C2 C3 H3 119.4 . .
C5 C4 C3 119.5(2) . .
C5 C4 H4 120.2 . .
C3 C4 H4 120.2 . .
C4 C5 C6 121.7(2) . .
C4 C5 H5 119.1 . .
C6 C5 H5 119.1 . .
C5 C6 C1 118.4(2) . .
C5 C6 C10 119.9(2) . .
C1 C6 C10 121.7(2) . .
C9 C7 C2 111.1(2) . .
C9 C7 C8 108.3(2) . .
C2 C7 C8 113.9(2) . .
C9 C7 H7 107.8 . .
C2 C7 H7 107.8 . .
C8 C7 H7 107.8 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C12 C10 C6 110.8(3) . .
C12 C10 C11 109.9(2) . .
C6 C10 C11 113.1(2) . .
C12 C10 H10 107.6 . .
C6 C10 H10 107.6 . .
C11 C10 H10 107.6 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N1 C13A C13B 109.3(4) . 4_565
N1 C13A H13A 109.8 . .
C13B C13A H13A 109.8 4_565 .
N1 C13A H13B 109.8 . .
C13B C13A H13B 109.8 4_565 .
H13A C13A H13B 108.3 . .
N1 C13B C13A 109.8(4) . 4_565
N1 C13B H13C 109.7 . .
C13A C13B H13C 109.7 4_565 .
N1 C13B H13D 109.7 . .
C13A C13B H13D 109.7 4_565 .
H13C C13B H13D 108.2 . .
C14 Fe1 C16 91.55(8) . 4_565
C14 Fe1 C16 91.54(8) . .
C16 Fe1 C16 176.01(16) 4_565 .
C14 Fe1 C15 109.51(16) . .
C16 Fe1 C15 90.68(8) 4_565 .
C16 Fe1 C15 90.68(8) . .
C14 Fe1 Sn1 91.68(11) . .
C16 Fe1 Sn1 88.69(8) 4_565 .
C16 Fe1 Sn1 88.69(8) . .
C15 Fe1 Sn1 158.81(13) . .
C14 Fe1 Fe2 146.39(11) . .
C16 Fe1 Fe2 88.01(8) 4_565 .
C16 Fe1 Fe2 88.01(8) . .
C15 Fe1 Fe2 104.11(12) . .
Sn1 Fe1 Fe2 54.702(13) . .
C18 Fe2 C19 88.19(8) . .
C18 Fe2 C19 88.19(8) . 4_565
C19 Fe2 C19 170.12(16) . 4_565
C18 Fe2 C17 107.43(18) . .
C19 Fe2 C17 94.93(8) . .
C19 Fe2 C17 94.93(8) 4_565 .
C18 Fe2 Sn1 111.58(12) . .
C19 Fe2 Sn1 86.39(8) . .
C19 Fe2 Sn1 86.40(8) 4_565 .
C17 Fe2 Sn1 140.98(13) . .
C18 Fe2 Fe1 167.73(12) . .
C19 Fe2 Fe1 90.79(8) . .
C19 Fe2 Fe1 90.79(8) 4_565 .
C17 Fe2 Fe1 84.84(13) . .
Sn1 Fe2 Fe1 56.146(13) . .
O1 C14 Fe1 178.4(3) . .
O2 C15 Fe1 176.7(4) . .
O3 C16 Fe1 176.5(2) . .
O4 C17 Fe2 178.7(4) . .
O5 C18 Fe2 178.0(3) . .
O6 C19 Fe2 175.5(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 N1 2.0205(18) 4_565
Sn1 N1 2.0205(18) .
Sn1 Fe2 2.5296(5) .
Sn1 Fe1 2.5739(5) .
N1 C13B 1.402(6) .
N1 C1 1.429(3) .
N1 C13A 1.514(5) .
C1 C2 1.408(3) .
C1 C6 1.411(3) .
C2 C3 1.398(3) .
C2 C7 1.523(3) .
C3 C4 1.381(3) .
C3 H3 0.9500 .
C4 C5 1.379(4) .
C4 H4 0.9500 .
C5 C6 1.396(3) .
C5 H5 0.9500 .
C6 C10 1.527(3) .
C7 C9 1.523(4) .
C7 C8 1.526(3) .
C7 H7 1.0000 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C12 1.517(5) .
C10 C11 1.529(4) .
C10 H10 1.0000 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13A C13B 1.520(6) 4_565
C13A H13A 0.9900 .
C13A H13B 0.9900 .
C13B C13A 1.520(6) 4_565
C13B H13C 0.9900 .
C13B H13D 0.9900 .
Fe1 C14 1.788(3) .
Fe1 C16 1.817(3) 4_565
Fe1 C16 1.817(3) .
Fe1 C15 1.821(4) .
Fe1 Fe2 2.8965(7) .
Fe2 C18 1.785(4) .
Fe2 C19 1.819(3) .
Fe2 C19 1.819(3) 4_565
Fe2 C17 1.826(4) .
C14 O1 1.133(4) .
C15 O2 1.132(5) .
C16 O3 1.140(4) .
C17 O4 1.127(5) .
C18 O5 1.140(5) .
C19 O6 1.139(4) .
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_4
N1 Sn1 N1 C13B -14.7(3) 4_565 .
Fe2 Sn1 N1 C13B -158.4(3) . .
Fe1 Sn1 N1 C13B 111.1(3) . .
N1 Sn1 N1 C1 165.94(14) 4_565 .
Fe2 Sn1 N1 C1 22.2(2) . .
Fe1 Sn1 N1 C1 -68.31(19) . .
N1 Sn1 N1 C13A 10.4(3) 4_565 .
Fe2 Sn1 N1 C13A -133.4(3) . .
Fe1 Sn1 N1 C13A 136.1(3) . .
C13B N1 C1 C2 -77.0(4) . .
C13A N1 C1 C2 -104.3(3) . .
Sn1 N1 C1 C2 102.3(2) . .
C13B N1 C1 C6 102.9(4) . .
C13A N1 C1 C6 75.7(4) . .
Sn1 N1 C1 C6 -77.8(3) . .
C6 C1 C2 C3 -1.2(3) . .
N1 C1 C2 C3 178.77(19) . .
C6 C1 C2 C7 179.8(2) . .
N1 C1 C2 C7 -0.3(3) . .
C1 C2 C3 C4 0.5(3) . .
C7 C2 C3 C4 179.5(2) . .
C2 C3 C4 C5 0.4(4) . .
C3 C4 C5 C6 -0.5(5) . .
C4 C5 C6 C1 -0.1(5) . .
C4 C5 C6 C10 -177.1(3) . .
C2 C1 C6 C5 1.0(4) . .
N1 C1 C6 C5 -178.9(3) . .
C2 C1 C6 C10 177.9(3) . .
N1 C1 C6 C10 -2.1(4) . .
C3 C2 C7 C9 -90.0(3) . .
C1 C2 C7 C9 89.1(3) . .
C3 C2 C7 C8 32.7(3) . .
C1 C2 C7 C8 -148.3(2) . .
C5 C6 C10 C12 83.2(4) . .
C1 C6 C10 C12 -93.7(3) . .
C5 C6 C10 C11 -40.7(4) . .
C1 C6 C10 C11 142.5(3) . .
C13B N1 C13A C13B 69.9(9) . 4_565
C1 N1 C13A C13B 169.9(3) . 4_565
Sn1 N1 C13A C13B -31.9(4) . 4_565
C1 N1 C13B C13A -144.3(3) . 4_565
C13A N1 C13B C13A -50.8(7) . 4_565
Sn1 N1 C13B C13A 36.2(4) . 4_565
N1 Sn1 Fe1 C14 52.98(6) 4_565 .
N1 Sn1 Fe1 C14 -52.99(6) . .
Fe2 Sn1 Fe1 C14 180.000(1) . .
N1 Sn1 Fe1 C16 -38.52(10) 4_565 4_565
N1 Sn1 Fe1 C16 -144.49(10) . 4_565
Fe2 Sn1 Fe1 C16 88.49(8) . 4_565
N1 Sn1 Fe1 C16 144.49(10) 4_565 .
N1 Sn1 Fe1 C16 38.52(10) . .
Fe2 Sn1 Fe1 C16 -88.49(8) . .
N1 Sn1 Fe1 C15 -127.02(6) 4_565 .
N1 Sn1 Fe1 C15 127.01(6) . .
Fe2 Sn1 Fe1 C15 0.000(3) . .
N1 Sn1 Fe1 Fe2 -127.02(6) 4_565 .
N1 Sn1 Fe1 Fe2 127.01(6) . .
N1 Sn1 Fe2 C18 -63.98(7) 4_565 .
N1 Sn1 Fe2 C18 63.98(7) . .
Fe1 Sn1 Fe2 C18 180.0 . .
N1 Sn1 Fe2 C19 -150.61(10) 4_565 .
N1 Sn1 Fe2 C19 -22.64(11) . .
Fe1 Sn1 Fe2 C19 93.38(8) . .
N1 Sn1 Fe2 C19 22.64(11) 4_565 4_565
N1 Sn1 Fe2 C19 150.61(10) . 4_565
Fe1 Sn1 Fe2 C19 -93.38(8) . 4_565
N1 Sn1 Fe2 C17 116.02(7) 4_565 .
N1 Sn1 Fe2 C17 -116.02(7) . .
Fe1 Sn1 Fe2 C17 0.000(2) . .
N1 Sn1 Fe2 Fe1 116.02(7) 4_565 .
N1 Sn1 Fe2 Fe1 -116.02(7) . .
C14 Fe1 Fe2 C18 0.000(3) . .
C16 Fe1 Fe2 C18 -89.80(8) 4_565 .
C16 Fe1 Fe2 C18 89.80(8) . .
C15 Fe1 Fe2 C18 180.000(3) . .
Sn1 Fe1 Fe2 C18 0.000(3) . .
C14 Fe1 Fe2 C19 -85.12(8) . .
C16 Fe1 Fe2 C19 -174.93(11) 4_565 .
C16 Fe1 Fe2 C19 4.68(11) . .
C15 Fe1 Fe2 C19 94.88(8) . .
Sn1 Fe1 Fe2 C19 -85.12(8) . .
C14 Fe1 Fe2 C19 85.13(8) . 4_565
C16 Fe1 Fe2 C19 -4.68(11) 4_565 4_565
C16 Fe1 Fe2 C19 174.93(11) . 4_565
C15 Fe1 Fe2 C19 -94.87(8) . 4_565
Sn1 Fe1 Fe2 C19 85.13(8) . 4_565
C14 Fe1 Fe2 C17 180.000(1) . .
C16 Fe1 Fe2 C17 90.20(8) 4_565 .
C16 Fe1 Fe2 C17 -90.20(8) . .
C15 Fe1 Fe2 C17 0.000(1) . .
Sn1 Fe1 Fe2 C17 180.0 . .
C14 Fe1 Fe2 Sn1 0.0 . .
C16 Fe1 Fe2 Sn1 -89.80(8) 4_565 .
C16 Fe1 Fe2 Sn1 89.80(8) . .
C15 Fe1 Fe2 Sn1 180.0 . .
C16 Fe1 C14 O1 -91.27(10) 4_565 .
C16 Fe1 C14 O1 91.27(10) . .
C15 Fe1 C14 O1 0.00(7) . .
Sn1 Fe1 C14 O1 180.00(7) . .
Fe2 Fe1 C14 O1 180.00(6) . .
C14 Fe1 C15 O2 0.00(3) . .
C16 Fe1 C15 O2 91.88(8) 4_565 .
C16 Fe1 C15 O2 -91.88(8) . .
Sn1 Fe1 C15 O2 180.00(3) . .
Fe2 Fe1 C15 O2 180.00(3) . .
C14 Fe1 C16 O3 -59(4) . .
C16 Fe1 C16 O3 160(2) 4_565 .
C15 Fe1 C16 O3 51(4) . .
Sn1 Fe1 C16 O3 -151(4) . .
Fe2 Fe1 C16 O3 155(4) . .
C18 Fe2 C17 O4 0.00(6) . .
C19 Fe2 C17 O4 89.65(11) . .
C19 Fe2 C17 O4 -89.65(10) 4_565 .
Sn1 Fe2 C17 O4 180.00(6) . .
Fe1 Fe2 C17 O4 180.00(6) . .
C19 Fe2 C18 O5 -94.60(8) . .
C19 Fe2 C18 O5 94.60(9) 4_565 .
C17 Fe2 C18 O5 0.00(3) . .
Sn1 Fe2 C18 O5 180.00(3) . .
Fe1 Fe2 C18 O5 180.00(3) . .
C18 Fe2 C19 O6 31(3) . .
C19 Fe2 C19 O6 100(3) 4_565 .
C17 Fe2 C19 O6 -76(3) . .
Sn1 Fe2 C19 O6 143(3) . .
Fe1 Fe2 C19 O6 -161(3) . .
