#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:40:20 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179341 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/38/4323840.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_4323840
loop_
_publ_author_name
'Carsten O. Kienitz'
'Carsten Thöne'
'Peter G. Jones'
_publ_contact_author
;
      Peter G. Jones
      Institut für Anorganische und Analytische Chemie
      Technische Universität Braunschweig
      Postfach 3329
      38023 Braunschweig
      Germany
;
_publ_contact_author_email       p.jones@tu-bs.de
_publ_contact_author_fax         '049 531 391-5387'
_publ_contact_author_phone       '049 531 391-5322'
_publ_section_title
;
 Coordination Chemistry of 2,2'-Dipyridyl Diselenide: X-ray Crystal
 Structures of PySeSePy, [Zn(PySeSePddy)Cl₂],
 [(PySeSePy):Hg(C₆F₅)₂], [Mo(SePy)₂(CO)₃], [W(SePy)₂(CO)₃],
 and [Fe(SePy)₂(CO)₂] (PySeSePy = C₅H₄NSeSeC₅H₄N; SePy =
 [C₅H₄N(2-Se)-N,Se])
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3990
_journal_page_last               3997
_journal_paper_doi               10.1021/ic951454d
_journal_volume                  35
_journal_year                    1996
_chemical_formula_sum            'C12 H8 Fe N2 O2 Se2'
_chemical_formula_weight         425.97
_chemical_name_systematic
;
 Bis(pyridine-2-selenolato-N,Se)-dicarbonyliron
;
_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
_cell_angle_alpha                105.811(10)
_cell_angle_beta                 107.533(8)
_cell_angle_gamma                92.075(10)
_cell_formula_units_Z            4
_cell_length_a                   8.6691(14)
_cell_length_b                   12.443(2)
_cell_length_c                   14.085(2)
_cell_measurement_reflns_used    54
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.993
_cell_measurement_theta_min      9.906
_cell_volume                     1382.3(4)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens XSCANS'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       ω-Scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_av_sigmaI/netI    0.0708
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            4990
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.10
_diffrn_standards_decay_%        3.61
_diffrn_standards_interval_count 297
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.354
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  .263
_exptl_absorpt_correction_type   Psi-Scans
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    2.047
_exptl_crystal_description       plate
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.414
_refine_diff_density_min         -1.060
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.962
_refine_ls_goodness_of_fit_obs   1.063
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         4752
_refine_ls_number_restraints     220
_refine_ls_restrained_S_all      0.969
_refine_ls_restrained_S_obs      1.026
_refine_ls_R_factor_all          0.0920
_refine_ls_R_factor_obs          0.0535
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0862P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1451
_refine_ls_wR_factor_obs         0.1253
_reflns_number_observed          3172
_reflns_number_total             4757
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic951454d_1.cif
_cod_data_source_block           skull
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0862P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0862P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4323840
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Se1 Se 0.23441(10) 0.38123(7) 0.20273(7) 0.0331(2) Uani 1 d . .
Se2 Se 0.59276(10) 0.73585(7) 0.33800(7) 0.0318(2) Uani 1 d . .
Fe1 Fe 0.44407(13) 0.54601(9) 0.27101(9) 0.0251(3) Uani 1 d . .
N1 N 0.2680(7) 0.5846(5) 0.3350(5) 0.0235(14) Uani 1 d U .
C11 C 0.1580(9) 0.4899(7) 0.2943(7) 0.028(2) Uani 1 d U .
C12 C 0.0192(10) 0.4865(8) 0.3231(7) 0.038(2) Uani 1 d U .
H12 H -0.0564(10) 0.4197(8) 0.2960(7) 0.045 Uiso 1 calc R .
C13 C -0.0085(10) 0.5793(8) 0.3902(8) 0.039(2) Uani 1 d U .
H13 H -0.1023(10) 0.5773(8) 0.4116(8) 0.046 Uiso 1 calc R .
C14 C 0.1004(10) 0.6763(7) 0.4270(7) 0.034(2) Uani 1 d U .
H14 H 0.0803(10) 0.7424(7) 0.4721(7) 0.041 Uiso 1 calc R .
C15 C 0.2396(10) 0.6767(7) 0.3979(7) 0.029(2) Uani 1 d U .
H15 H 0.3151(10) 0.7433(7) 0.4232(7) 0.035 Uiso 1 calc R .
N2 N 0.3404(8) 0.6314(6) 0.1718(5) 0.0266(15) Uani 1 d U .
C21 C 0.4221(9) 0.7348(7) 0.2155(7) 0.029(2) Uani 1 d U .
C22 C 0.3855(11) 0.8228(8) 0.1703(7) 0.036(2) Uani 1 d U .
H22 H 0.4464(11) 0.8957(8) 0.2009(7) 0.044 Uiso 1 calc R .
C23 C 0.2545(13) 0.7962(9) 0.0781(8) 0.047(2) Uani 1 d U .
H23 H 0.2234(13) 0.8521(9) 0.0442(8) 0.057 Uiso 1 calc R .
C24 C 0.1690(11) 0.6888(9) 0.0355(8) 0.044(2) Uani 1 d U .
H24 H 0.0793(11) 0.6716(9) -0.0272(8) 0.053 Uiso 1 calc R .
C25 C 0.2124(10) 0.6083(8) 0.0825(7) 0.037(2) Uani 1 d U .
H25 H 0.1527(10) 0.5350(8) 0.0528(7) 0.045 Uiso 1 calc R .
C1 C 0.5545(10) 0.4946(7) 0.3725(7) 0.034(2) Uani 1 d U .
O1 O 0.6273(8) 0.4575(6) 0.4370(6) 0.056(2) Uani 1 d U .
C2 C 0.5735(10) 0.4951(7) 0.1957(7) 0.030(2) Uani 1 d U .
O2 O 0.6527(8) 0.4651(5) 0.1454(5) 0.043(2) Uani 1 d U .
Se3 Se 0.08892(10) 0.92729(8) 0.31565(7) 0.0336(2) Uani 1 d . .
Se4 Se -0.25206(11) 1.18444(8) 0.17650(8) 0.0361(3) Uani 1 d . .
Fe2 Fe -0.04702(13) 1.07133(10) 0.24689(9) 0.0256(3) Uani 1 d . .
N3 N -0.1647(8) 0.9212(6) 0.1530(5) 0.0253(14) Uani 1 d U .
C31 C -0.0887(10) 0.8459(7) 0.1975(6) 0.028(2) Uani 1 d U .
C32 C -0.1426(10) 0.7304(7) 0.1583(7) 0.034(2) Uani 1 d U .
H32 H -0.0899(10) 0.6785(7) 0.1916(7) 0.040 Uiso 1 calc R .
C33 C -0.2759(12) 0.6956(8) 0.0693(8) 0.041(2) Uani 1 d U .
H33 H -0.3153(12) 0.6176(8) 0.0402(8) 0.049 Uiso 1 calc R .
C34 C -0.3539(11) 0.7700(8) 0.0212(7) 0.039(2) Uani 1 d U .
H34 H -0.4453(11) 0.7443(8) -0.0407(7) 0.047 Uiso 1 calc R .
C35 C -0.2955(10) 0.8840(7) 0.0656(7) 0.030(2) Uani 1 d U .
H35 H -0.3486(10) 0.9368(7) 0.0338(7) 0.036 Uiso 1 calc R .
N4 N -0.2174(8) 1.0760(5) 0.3175(5) 0.0264(15) Uani 1 d U .
C41 C -0.3251(9) 1.1380(7) 0.2741(7) 0.029(2) Uani 1 d U .
C42 C -0.4632(9) 1.1580(7) 0.3019(8) 0.037(2) Uani 1 d U .
H42 H -0.5378(9) 1.2030(7) 0.2717(8) 0.045 Uiso 1 calc R .
C43 C -0.4911(10) 1.1105(8) 0.3760(7) 0.040(2) Uani 1 d U .
H43 H -0.5856(10) 1.1221(8) 0.3965(7) 0.048 Uiso 1 calc R .
C44 C -0.3793(9) 1.0468(7) 0.4182(7) 0.032(2) Uani 1 d U .
H44 H -0.3963(9) 1.0140(7) 0.4683(7) 0.038 Uiso 1 calc R .
C45 C -0.2441(10) 1.0305(7) 0.3886(6) 0.028(2) Uani 1 d U .
H45 H -0.1675(10) 0.9865(7) 0.4185(6) 0.034 Uiso 1 calc R .
C3 C 0.0751(10) 1.0722(7) 0.1664(7) 0.034(2) Uani 1 d U .
O3 O 0.1536(8) 1.0709(6) 0.1136(6) 0.052(2) Uani 1 d U .
C4 C 0.0756(10) 1.1910(7) 0.3466(7) 0.029(2) Uani 1 d U .
O4 O 0.1553(8) 1.2655(5) 0.4130(6) 0.048(2) Uani 1 d U .
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'
Se Se -0.0929 2.2259 '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
C11 Se1 Fe1 75.3(2) . . y
C21 Se2 Fe1 74.6(3) . . y
C1 Fe1 C2 91.9(4) . . y
C1 Fe1 N2 169.7(3) . . y
C2 Fe1 N2 90.2(3) . . y
C1 Fe1 N1 92.7(3) . . y
C2 Fe1 N1 170.0(3) . . y
N2 Fe1 N1 86.9(3) . . y
C1 Fe1 Se2 97.5(3) . . y
C2 Fe1 Se2 92.3(3) . . y
N2 Fe1 Se2 72.3(2) . . y
N1 Fe1 Se2 95.8(2) . . y
C1 Fe1 Se1 91.1(3) . . y
C2 Fe1 Se1 99.1(3) . . y
N2 Fe1 Se1 98.5(2) . . y
N1 Fe1 Se1 72.0(2) . . y
Se2 Fe1 Se1 165.43(6) . . y
C15 N1 C11 120.7(7) . . y
C15 N1 Fe1 134.7(6) . . y
C11 N1 Fe1 104.5(5) . . y
N1 C11 C12 120.1(8) . . y
N1 C11 Se1 108.2(6) . . y
C12 C11 Se1 131.7(7) . . y
C13 C12 C11 119.6(8) . . y
C12 C13 C14 119.5(8) . . y
C13 C14 C15 119.6(8) . . y
N1 C15 C14 120.4(8) . . y
C21 N2 C25 120.1(7) . . y
C21 N2 Fe1 104.4(5) . . y
C25 N2 Fe1 135.4(6) . . y
N2 C21 C22 122.6(8) . . y
N2 C21 Se2 108.6(6) . . y
C22 C21 Se2 128.7(7) . . y
C23 C22 C21 115.8(9) . . y
C24 C23 C22 120.5(9) . . y
C25 C24 C23 120.4(9) . . y
C24 C25 N2 120.5(9) . . y
O1 C1 Fe1 177.8(8) . . y
O2 C2 Fe1 177.4(8) . . y
C31 Se3 Fe2 75.3(2) . . y
C41 Se4 Fe2 75.1(2) . . y
C3 Fe2 C4 92.5(4) . . y
C3 Fe2 N3 90.5(3) . . y
C4 Fe2 N3 169.4(3) . . y
C3 Fe2 N4 169.7(3) . . y
C4 Fe2 N4 92.1(3) . . y
N3 Fe2 N4 86.7(3) . . y
C3 Fe2 Se3 93.5(3) . . y
C4 Fe2 Se3 97.5(3) . . y
N3 Fe2 Se3 72.1(2) . . y
N4 Fe2 Se3 95.1(2) . . y
C3 Fe2 Se4 98.6(3) . . y
C4 Fe2 Se4 92.8(3) . . y
N3 Fe2 Se4 96.9(2) . . y
N4 Fe2 Se4 71.9(2) . . y
Se3 Fe2 Se4 163.75(6) . . y
C31 N3 C35 119.2(7) . . y
C31 N3 Fe2 105.0(5) . . y
C35 N3 Fe2 135.8(6) . . y
N3 C31 C32 122.5(8) . . y
N3 C31 Se3 107.5(6) . . y
C32 C31 Se3 130.0(6) . . y
C33 C32 C31 116.7(8) . . y
C34 C33 C32 122.1(9) . . y
C33 C34 C35 118.1(9) . . y
N3 C35 C34 121.4(8) . . y
C41 N4 C45 120.2(7) . . y
C41 N4 Fe2 104.4(6) . . y
C45 N4 Fe2 135.4(5) . . y
N4 C41 C42 121.3(8) . . y
N4 C41 Se4 108.7(6) . . y
C42 C41 Se4 130.1(7) . . y
C41 C42 C43 118.5(8) . . y
C44 C43 C42 118.7(8) . . y
C45 C44 C43 120.4(9) . . y
N4 C45 C44 120.9(8) . . y
O3 C3 Fe2 178.9(8) . . y
O4 C4 Fe2 177.5(8) . . y
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
Se1 C11 1.887(8) . y
Se1 Fe1 2.4566(15) . y
Se2 C21 1.901(8) . y
Se2 Fe1 2.4421(15) . y
Fe1 C1 1.757(9) . y
Fe1 C2 1.786(9) . y
Fe1 N2 2.003(7) . y
Fe1 N1 2.005(6) . y
N1 C15 1.325(10) . y
N1 C11 1.359(10) . y
C11 C12 1.383(12) . y
C12 C13 1.359(12) . y
C13 C14 1.378(12) . y
C14 C15 1.387(12) . y
N2 C21 1.333(11) . y
N2 C25 1.355(11) . y
C21 C22 1.409(12) . y
C22 C23 1.391(13) . y
C23 C24 1.385(14) . y
C24 C25 1.349(13) . y
C1 O1 1.158(11) . y
C2 O2 1.131(10) . y
Se3 C31 1.894(8) . y
Se3 Fe2 2.4394(14) . y
Se4 C41 1.885(9) . y
Se4 Fe2 2.4502(14) . y
Fe2 C3 1.771(9) . y
Fe2 C4 1.779(9) . y
Fe2 N3 1.995(7) . y
Fe2 N4 2.008(7) . y
N3 C31 1.349(10) . y
N3 C35 1.352(10) . y
C31 C32 1.398(11) . y
C32 C33 1.375(13) . y
C33 C34 1.373(13) . y
C34 C35 1.391(12) . y
N4 C41 1.344(10) . y
N4 C45 1.348(10) . y
C41 C42 1.378(11) . y
C42 C43 1.405(13) . y
C43 C44 1.373(12) . y
C44 C45 1.362(11) . y
C3 O3 1.147(10) . y
C4 O4 1.142(10) . y
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
C21 Se2 Fe1 C1 -176.3(4) . . . . ?
C21 Se2 Fe1 C2 91.4(4) . . . . ?
C21 Se2 Fe1 N2 2.0(3) . . . . ?
C21 Se2 Fe1 N1 -82.8(3) . . . . ?
C21 Se2 Fe1 Se1 -50.4(4) . . . . ?
C11 Se1 Fe1 C1 92.2(4) . . . . ?
C11 Se1 Fe1 C2 -175.7(4) . . . . ?
C11 Se1 Fe1 N2 -84.1(3) . . . . ?
C11 Se1 Fe1 N1 -0.2(3) . . . . ?
C11 Se1 Fe1 Se2 -34.4(4) . . . . ?
C1 Fe1 N1 C15 93.9(8) . . . . ?
C2 Fe1 N1 C15 -148.7(18) . . . . ?
N2 Fe1 N1 C15 -75.8(8) . . . . ?
Se2 Fe1 N1 C15 -4.0(8) . . . . ?
Se1 Fe1 N1 C15 -175.8(8) . . . . ?
C1 Fe1 N1 C11 -90.0(5) . . . . ?
C2 Fe1 N1 C11 27.4(21) . . . . ?
N2 Fe1 N1 C11 100.3(5) . . . . ?
Se2 Fe1 N1 C11 172.2(5) . . . . ?
Se1 Fe1 N1 C11 0.3(4) . . . . ?
C15 N1 C11 C12 -3.9(12) . . . . ?
Fe1 N1 C11 C12 179.3(7) . . . . ?
C15 N1 C11 Se1 176.4(6) . . . . ?
Fe1 N1 C11 Se1 -0.4(6) . . . . ?
Fe1 Se1 C11 N1 0.4(5) . . . . ?
Fe1 Se1 C11 C12 -179.4(9) . . . . ?
N1 C11 C12 C13 1.7(13) . . . . ?
Se1 C11 C12 C13 -178.6(7) . . . . ?
C11 C12 C13 C14 1.3(14) . . . . ?
C12 C13 C14 C15 -2.2(14) . . . . ?
C11 N1 C15 C14 3.0(12) . . . . ?
Fe1 N1 C15 C14 178.7(6) . . . . ?
C13 C14 C15 N1 0.1(13) . . . . ?
C1 Fe1 N2 C21 6.4(21) . . . . ?
C2 Fe1 N2 C21 -95.3(5) . . . . ?
N1 Fe1 N2 C21 94.2(5) . . . . ?
Se2 Fe1 N2 C21 -2.9(4) . . . . ?
Se1 Fe1 N2 C21 165.5(5) . . . . ?
C1 Fe1 N2 C25 -169.4(17) . . . . ?
C2 Fe1 N2 C25 88.9(8) . . . . ?
N1 Fe1 N2 C25 -81.6(8) . . . . ?
Se2 Fe1 N2 C25 -178.7(8) . . . . ?
Se1 Fe1 N2 C25 -10.3(8) . . . . ?
C25 N2 C21 C22 -2.7(12) . . . . ?
Fe1 N2 C21 C22 -179.3(7) . . . . ?
C25 N2 C21 Se2 -179.7(6) . . . . ?
Fe1 N2 C21 Se2 3.7(6) . . . . ?
Fe1 Se2 C21 N2 -3.0(5) . . . . ?
Fe1 Se2 C21 C22 -179.9(8) . . . . ?
N2 C21 C22 C23 1.9(12) . . . . ?
Se2 C21 C22 C23 178.3(7) . . . . ?
C21 C22 C23 C24 -0.3(13) . . . . ?
C22 C23 C24 C25 -0.4(14) . . . . ?
C23 C24 C25 N2 -0.3(14) . . . . ?
C21 N2 C25 C24 1.8(13) . . . . ?
Fe1 N2 C25 C24 177.1(7) . . . . ?
C2 Fe1 C1 O1 -45.9(213) . . . . ?
N2 Fe1 C1 O1 -147.4(201) . . . . ?
N1 Fe1 C1 O1 125.3(213) . . . . ?
Se2 Fe1 C1 O1 -138.5(213) . . . . ?
Se1 Fe1 C1 O1 53.3(213) . . . . ?
C1 Fe1 C2 O2 -170.1(172) . . . . ?
N2 Fe1 C2 O2 -0.1(172) . . . . ?
N1 Fe1 C2 O2 72.4(178) . . . . ?
Se2 Fe1 C2 O2 -72.5(172) . . . . ?
Se1 Fe1 C2 O2 98.5(172) . . . . ?
C31 Se3 Fe2 C3 -91.3(4) . . . . ?
C31 Se3 Fe2 C4 175.8(4) . . . . ?
C31 Se3 Fe2 N3 -1.9(3) . . . . ?
C31 Se3 Fe2 N4 83.0(3) . . . . ?
C31 Se3 Fe2 Se4 47.0(3) . . . . ?
C41 Se4 Fe2 C3 175.3(4) . . . . ?
C41 Se4 Fe2 C4 -91.8(4) . . . . ?
C41 Se4 Fe2 N3 83.8(3) . . . . ?
C41 Se4 Fe2 N4 -0.5(3) . . . . ?
C41 Se4 Fe2 Se3 37.5(3) . . . . ?
C3 Fe2 N3 C31 96.2(6) . . . . ?
C4 Fe2 N3 C31 -10.0(19) . . . . ?
N4 Fe2 N3 C31 -93.8(5) . . . . ?
Se3 Fe2 N3 C31 2.6(4) . . . . ?
Se4 Fe2 N3 C31 -165.1(5) . . . . ?
C3 Fe2 N3 C35 -86.9(8) . . . . ?
C4 Fe2 N3 C35 166.9(15) . . . . ?
N4 Fe2 N3 C35 83.1(8) . . . . ?
Se3 Fe2 N3 C35 179.5(8) . . . . ?
Se4 Fe2 N3 C35 11.8(8) . . . . ?
C35 N3 C31 C32 -1.8(12) . . . . ?
Fe2 N3 C31 C32 175.7(7) . . . . ?
C35 N3 C31 Se3 179.1(6) . . . . ?
Fe2 N3 C31 Se3 -3.4(6) . . . . ?
Fe2 Se3 C31 N3 2.8(5) . . . . ?
Fe2 Se3 C31 C32 -176.2(8) . . . . ?
N3 C31 C32 C33 1.8(12) . . . . ?
Se3 C31 C32 C33 -179.3(7) . . . . ?
C31 C32 C33 C34 -0.6(13) . . . . ?
C32 C33 C34 C35 -0.6(14) . . . . ?
C31 N3 C35 C34 0.6(12) . . . . ?
Fe2 N3 C35 C34 -176.0(6) . . . . ?
C33 C34 C35 N3 0.6(13) . . . . ?
C3 Fe2 N4 C41 -23.2(21) . . . . ?
C4 Fe2 N4 C41 92.9(6) . . . . ?
N3 Fe2 N4 C41 -97.6(5) . . . . ?
Se3 Fe2 N4 C41 -169.4(5) . . . . ?
Se4 Fe2 N4 C41 0.7(5) . . . . ?
C3 Fe2 N4 C45 153.9(17) . . . . ?
C4 Fe2 N4 C45 -89.9(8) . . . . ?
N3 Fe2 N4 C45 79.5(8) . . . . ?
Se3 Fe2 N4 C45 7.8(8) . . . . ?
Se4 Fe2 N4 C45 177.8(8) . . . . ?
C45 N4 C41 C42 1.0(12) . . . . ?
Fe2 N4 C41 C42 178.7(7) . . . . ?
C45 N4 C41 Se4 -178.6(6) . . . . ?
Fe2 N4 C41 Se4 -0.9(6) . . . . ?
Fe2 Se4 C41 N4 0.7(5) . . . . ?
Fe2 Se4 C41 C42 -178.8(9) . . . . ?
N4 C41 C42 C43 -1.1(13) . . . . ?
Se4 C41 C42 C43 178.4(7) . . . . ?
C41 C42 C43 C44 0.5(13) . . . . ?
C42 C43 C44 C45 0.1(13) . . . . ?
C41 N4 C45 C44 -0.4(12) . . . . ?
Fe2 N4 C45 C44 -177.2(6) . . . . ?
C43 C44 C45 N4 -0.2(13) . . . . ?
C4 Fe2 C3 O3 148.9(433) . . . . ?
N3 Fe2 C3 O3 -20.9(433) . . . . ?
N4 Fe2 C3 O3 -95.0(432) . . . . ?
Se3 Fe2 C3 O3 51.2(433) . . . . ?
Se4 Fe2 C3 O3 -117.9(433) . . . . ?
C3 Fe2 C4 O4 -122.9(167) . . . . ?
N3 Fe2 C4 O4 -16.9(179) . . . . ?
N4 Fe2 C4 O4 66.4(167) . . . . ?
Se3 Fe2 C4 O4 -29.0(167) . . . . ?
Se4 Fe2 C4 O4 138.4(167) . . . . ?
