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#$Date: 2016-03-23 16:05:01 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179361 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/58/4325808.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_4325808
loop_
_publ_author_name
'Dingxian Jia'
'Jing Zhao'
'Yingli Pan'
'Weiwei Tang'
'Bing Wu'
'Yong Zhang'
_publ_contact_author_address
;Soochow University
      College of Chemistry, Chemical Engineering and Materials Science
      P.O. Box 174, Renai Road 199, Suzhou 215123
      P.R.China.
;
_publ_contact_author_email       jiadingxian@suda.edu.cn
_publ_contact_author_fax         86-512-65880089
_publ_contact_author_name        'Dr. Dingxian Jia'
_publ_contact_author_phone       86-512-65880089
_publ_section_title
;
 Solvothermal Synthesis and Characterization of Polyselenidoarsenate Salts
 of Transition Metal Complex Cations
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7195
_journal_page_last               7201
_journal_paper_doi               10.1021/ic2007809
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C36 H24 Fe N6, As2 Se6'
_chemical_formula_sum            'C36 H24 As2 Fe N6 Se6'
_chemical_formula_weight         1220.06
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                117.090(13)
_cell_angle_beta                 99.308(15)
_cell_angle_gamma                105.732(18)
_cell_formula_units_Z            2
_cell_length_a                   13.1258(7)
_cell_length_b                   13.1882(7)
_cell_length_c                   13.6521(6)
_cell_measurement_reflns_used    7090
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.0
_cell_volume                     1909.7(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_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  0.0599
_diffrn_reflns_av_sigmaI/netI    0.0743
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            18754
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    7.869
_exptl_absorpt_correction_T_max  0.5717
_exptl_absorpt_correction_T_min  0.2764
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            dark-red
_exptl_crystal_density_diffrn    2.122
_exptl_crystal_description       block
_exptl_crystal_F_000             1156
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.836
_refine_diff_density_min         -0.951
_refine_diff_density_rms         0.197
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     461
_refine_ls_number_reflns         6958
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.0430
_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)+(0.1219P)²+13.8121P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0878
_refine_ls_wR_factor_ref         0.1025
_reflns_number_gt                4923
_reflns_number_total             6958
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2007809_si_002_2.cif
_cod_data_source_block           compound_1
_cod_original_cell_volume        1909.7(4)
_cod_database_code               4325808
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
As1 As 1.01641(11) 0.98621(12) 0.33568(11) 0.0450(4) Uani 1 1 d .
As2 As 0.3563(2) 0.8126(2) -0.0836(2) 0.0483(8) Uani 1 1 d .
Se1 Se 0.87866(12) 1.04778(14) 0.41914(12) 0.0558(4) Uani 1 1 d .
Se2 Se 1.01766(12) 0.82950(12) 0.38050(11) 0.0490(4) Uani 1 1 d .
Se3 Se 0.89200(13) 0.85742(13) 0.15139(11) 0.0576(4) Uani 1 1 d .
Se4 Se 0.5219(2) 1.1103(2) 0.1822(2) 0.0521(8) Uani 1 1 d .
Se5 Se 0.5014(3) 0.9038(2) 0.0954(2) 0.0488(9) Uani 1 1 d .
Se6 Se 0.35694(19) 0.61877(18) -0.15675(19) 0.0513(7) Uani 1 1 d .
Fe1 Fe 0.30233(13) 0.58528(14) 0.27327(13) 0.0312(4) Uani 1 1 d .
N1 N 0.1635(8) 0.5242(9) 0.3036(8) 0.037(2) Uani 1 1 d .
N2 N 0.2783(9) 0.4077(9) 0.1906(8) 0.041(2) Uani 1 1 d .
N3 N 0.3998(8) 0.6113(8) 0.4149(8) 0.033(2) Uani 1 1 d .
N4 N 0.4448(8) 0.6332(8) 0.2442(8) 0.034(2) Uani 1 1 d .
N5 N 0.2164(8) 0.5772(9) 0.1344(8) 0.037(2) Uani 1 1 d .
N6 N 0.3169(8) 0.7599(8) 0.3519(8) 0.037(2) Uani 1 1 d .
C1 C 0.1062(12) 0.5860(13) 0.3586(12) 0.052(3) Uani 1 1 d .
H1 H 0.1337 0.6713 0.3918 0.062 Uiso 1 1 calc R
C2 C 0.0048(12) 0.5268(14) 0.3688(12) 0.051(4) Uani 1 1 d .
H2 H -0.0347 0.5727 0.4056 0.066 Uiso 1 1 calc R
C3 C -0.0361(11) 0.4001(14) 0.3238(13) 0.048(4) Uani 1 1 d .
H3 H -0.1025 0.3597 0.3301 0.060 Uiso 1 1 calc R
C4 C 0.0255(12) 0.3364(13) 0.2694(12) 0.053(3) Uani 1 1 d .
C5 C -0.0080(14) 0.2030(15) 0.2164(13) 0.054(4) Uani 1 1 d .
H5 H -0.0733 0.1570 0.2201 0.070 Uiso 1 1 calc R
C6 C 0.0541(13) 0.1458(13) 0.1628(12) 0.056(4) Uani 1 1 d .
H6 H 0.0320 0.0614 0.1332 0.067 Uiso 1 1 calc R
C7 C 0.1530(11) 0.2088(12) 0.1490(11) 0.047(3) Uani 1 1 d .
C8 C 0.2199(14) 0.1549(11) 0.0925(11) 0.049(4) Uani 1 1 d .
H8 H 0.2007 0.0700 0.0575 0.061 Uiso 1 1 calc R
C9 C 0.3129(12) 0.2265(11) 0.0887(10) 0.046(3) Uani 1 1 d .
H9 H 0.3587 0.1907 0.0526 0.055 Uiso 1 1 calc R
C10 C 0.3411(11) 0.3524(11) 0.1379(10) 0.043(3) Uani 1 1 d .
H10 H 0.4055 0.3995 0.1339 0.051 Uiso 1 1 calc R
C11 C 0.1846(10) 0.3375(10) 0.1988(9) 0.036(3) Uani 1 1 d .
C12 C 0.1217(10) 0.3974(11) 0.2557(11) 0.047(3) Uani 1 1 d .
C13 C 0.3739(12) 0.5965(11) 0.5013(10) 0.043(3) Uani 1 1 d .
H13 H 0.2989 0.5663 0.4954 0.052 Uiso 1 1 calc R
C14 C 0.4573(14) 0.6256(12) 0.5989(10) 0.052(4) Uani 1 1 d .
H14 H 0.4378 0.6213 0.6599 0.063 Uiso 1 1 calc R
C15 C 0.5670(13) 0.6601(12) 0.6053(11) 0.051(3) Uani 1 1 d .
H15 H 0.6216 0.6762 0.6691 0.061 Uiso 1 1 calc R
C16 C 0.5976(11) 0.6713(11) 0.5178(11) 0.045(3) Uani 1 1 d .
C17 C 0.7072(12) 0.7020(12) 0.5140(12) 0.046(4) Uani 1 1 d .
H17 H 0.7648 0.7153 0.5738 0.057 Uiso 1 1 calc R
C18 C 0.7319(12) 0.7128(12) 0.4245(12) 0.051(3) Uani 1 1 d .
H18 H 0.8058 0.7347 0.4254 0.065 Uiso 1 1 calc R
C19 C 0.6458(9) 0.6909(10) 0.3297(11) 0.040(3) Uani 1 1 d .
C20 C 0.6641(12) 0.6997(12) 0.2352(13) 0.048(3) Uani 1 1 d .
H20 H 0.7360 0.7208 0.2306 0.064 Uiso 1 1 calc R
C21 C 0.5752(14) 0.6768(13) 0.1501(13) 0.046(4) Uani 1 1 d .
H21 H 0.5865 0.6837 0.0876 0.053 Uiso 1 1 calc R
C22 C 0.4656(11) 0.6424(12) 0.1562(11) 0.047(3) Uani 1 1 d .
H22 H 0.4060 0.6258 0.0963 0.057 Uiso 1 1 calc R
C23 C 0.5351(9) 0.6564(9) 0.3295(10) 0.032(2) Uani 1 1 d .
C24 C 0.5106(10) 0.6444(9) 0.4235(9) 0.038(2) Uani 1 1 d .
C25 C 0.1647(11) 0.4831(13) 0.0273(11) 0.050(3) Uani 1 1 d .
H25 H 0.1640 0.4061 0.0100 0.060 Uiso 1 1 calc R
C26 C 0.1099(12) 0.4941(14) -0.0630(12) 0.056(4) Uani 1 1 d .
H26 H 0.0716 0.4245 -0.1376 0.067 Uiso 1 1 calc R
C27 C 0.1132(12) 0.6071(15) -0.0404(13) 0.051(4) Uani 1 1 d .
H27 H 0.0799 0.6160 -0.0999 0.063 Uiso 1 1 calc R
C28 C 0.1681(10) 0.7101(13) 0.0745(12) 0.047(3) Uani 1 1 d .
C29 C 0.1787(14) 0.8329(15) 0.1081(16) 0.044(4) Uani 1 1 d .
H29 H 0.1492 0.8486 0.0522 0.056 Uiso 1 1 calc R
C30 C 0.2308(12) 0.9255(15) 0.2189(16) 0.052(4) Uani 1 1 d .
H30 H 0.2351 1.0044 0.2386 0.065 Uiso 1 1 calc R
C31 C 0.2798(10) 0.9087(11) 0.3082(13) 0.048(3) Uani 1 1 d .
C32 C 0.3289(12) 0.9989(13) 0.4263(13) 0.047(4) Uani 1 1 d .
H32 H 0.3332 1.0790 0.4522 0.058 Uiso 1 1 calc R
C33 C 0.3703(13) 0.9711(13) 0.5036(14) 0.044(4) Uani 1 1 d .
H33 H 0.4038 1.0318 0.5825 0.057 Uiso 1 1 calc R
C34 C 0.3623(11) 0.8475(11) 0.4630(11) 0.044(3) Uani 1 1 d .
H34 H 0.3899 0.8284 0.5168 0.052 Uiso 1 1 calc R
C35 C 0.2756(9) 0.7909(11) 0.2763(10) 0.038(3) Uani 1 1 d .
C36 C 0.2185(9) 0.6896(10) 0.1581(10) 0.035(3) 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'
As As 0.0499 2.0058 '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'
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
Se3 As1 Se2 97.24(7) . .
Se3 As1 Se1 94.07(7) . .
Se2 As1 Se1 99.93(7) . .
Se6 As2 Se5 95.14(12) . .
Se6 As2 Se4 99.71(10) . 2_675
Se5 As2 Se4 96.44(14) . 2_675
Se2 Se1 As1 101.80(7) 2_776 .
Se1 Se2 As1 101.07(7) 2_776 .
Se5 Se4 As2 101.86(10) . 2_675
Se4 Se5 As2 100.82(12) . .
N3 Fe1 N4 83.3(4) . .
N3 Fe1 N1 93.4(4) . .
N4 Fe1 N1 174.2(4) . .
N3 Fe1 N6 92.7(4) . .
N4 Fe1 N6 90.3(4) . .
N1 Fe1 N6 94.6(4) . .
N3 Fe1 N2 89.6(4) . .
N4 Fe1 N2 92.3(4) . .
N1 Fe1 N2 82.9(4) . .
N6 Fe1 N2 176.7(4) . .
N3 Fe1 N5 173.5(4) . .
N4 Fe1 N5 92.2(4) . .
N1 Fe1 N5 91.5(4) . .
N6 Fe1 N5 82.6(4) . .
N2 Fe1 N5 95.3(4) . .
C1 N1 C12 117.9(10) . .
C1 N1 Fe1 129.4(9) . .
C12 N1 Fe1 112.6(7) . .
C10 N2 C11 118.7(10) . .
C10 N2 Fe1 129.9(9) . .
C11 N2 Fe1 111.3(7) . .
C13 N3 C24 116.1(10) . .
C13 N3 Fe1 130.4(8) . .
C24 N3 Fe1 113.5(7) . .
C22 N4 C23 116.8(10) . .
C22 N4 Fe1 130.8(9) . .
C23 N4 Fe1 112.4(7) . .
C25 N5 C36 118.2(11) . .
C25 N5 Fe1 129.6(9) . .
C36 N5 Fe1 112.1(8) . .
C34 N6 C35 117.3(10) . .
C34 N6 Fe1 129.6(8) . .
C35 N6 Fe1 113.1(7) . .
N1 C1 C2 122.3(12) . .
N1 C1 H1 118.9 . .
C2 C1 H1 118.9 . .
C3 C2 C1 120.1(13) . .
C3 C2 H2 120.0 . .
C1 C2 H2 120.0 . .
C4 C3 C2 117.5(13) . .
C4 C3 H3 121.3 . .
C2 C3 H3 121.3 . .
C3 C4 C12 120.4(13) . .
C3 C4 C5 123.6(14) . .
C12 C4 C5 115.9(14) . .
C6 C5 C4 121.0(14) . .
C6 C5 H5 119.5 . .
C4 C5 H5 119.5 . .
C5 C6 C7 123.0(13) . .
C5 C6 H6 118.5 . .
C7 C6 H6 118.5 . .
C8 C7 C11 118.0(12) . .
C8 C7 C6 125.9(12) . .
C11 C7 C6 116.1(13) . .
C9 C8 C7 119.6(11) . .
C9 C8 H8 120.2 . .
C7 C8 H8 120.2 . .
C8 C9 C10 120.9(12) . .
C8 C9 H9 119.5 . .
C10 C9 H9 119.5 . .
N2 C10 C9 121.7(12) . .
N2 C10 H10 119.2 . .
C9 C10 H10 119.2 . .
N2 C11 C12 117.7(10) . .
N2 C11 C7 121.1(11) . .
C12 C11 C7 121.2(11) . .
C11 C12 N1 115.5(10) . .
C11 C12 C4 122.9(12) . .
N1 C12 C4 121.6(12) . .
N3 C13 C14 121.5(12) . .
N3 C13 H13 119.2 . .
C14 C13 H13 119.2 . .
C15 C14 C13 120.4(11) . .
C15 C14 H14 119.8 . .
C13 C14 H14 119.8 . .
C14 C15 C16 120.4(12) . .
C14 C15 H15 119.8 . .
C16 C15 H15 119.8 . .
C15 C16 C17 124.9(13) . .
C15 C16 C24 116.7(12) . .
C17 C16 C24 118.4(12) . .
C18 C17 C16 121.8(13) . .
C18 C17 H17 119.1 . .
C16 C17 H17 119.1 . .
C17 C18 C19 121.0(13) . .
C17 C18 H18 119.5 . .
C19 C18 H18 119.5 . .
C20 C19 C23 117.2(11) . .
C20 C19 C18 124.4(12) . .
C23 C19 C18 118.4(11) . .
C21 C20 C19 119.0(12) . .
C21 C20 H20 120.5 . .
C19 C20 H20 120.5 . .
C20 C21 C22 120.4(12) . .
C20 C21 H21 119.8 . .
C22 C21 H21 119.8 . .
N4 C22 C21 122.3(13) . .
N4 C22 H22 118.8 . .
C21 C22 H22 118.8 . .
N4 C23 C19 124.2(10) . .
N4 C23 C24 115.9(9) . .
C19 C23 C24 119.9(10) . .
N3 C24 C16 124.6(10) . .
N3 C24 C23 114.9(9) . .
C16 C24 C23 120.5(11) . .
N5 C25 C26 122.5(13) . .
N5 C25 H25 118.8 . .
C26 C25 H25 118.8 . .
C27 C26 C25 119.7(14) . .
C27 C26 H26 120.1 . .
C25 C26 H26 120.1 . .
C26 C27 C28 118.9(12) . .
C26 C27 H27 120.5 . .
C28 C27 H27 120.5 . .
C36 C28 C27 117.0(12) . .
C36 C28 C29 119.0(13) . .
C27 C28 C29 123.9(13) . .
C30 C29 C28 120.5(13) . .
C30 C29 H29 119.8 . .
C28 C29 H29 119.8 . .
C29 C30 C31 122.7(13) . .
C29 C30 H30 118.6 . .
C31 C30 H30 118.6 . .
C32 C31 C35 116.5(12) . .
C32 C31 C30 125.8(12) . .
C35 C31 C30 117.7(13) . .
C33 C32 C31 120.5(13) . .
C33 C32 H32 119.8 . .
C31 C32 H32 119.8 . .
C32 C33 C34 119.3(14) . .
C32 C33 H33 120.3 . .
C34 C33 H33 120.3 . .
N6 C34 C33 121.9(12) . .
N6 C34 H34 119.1 . .
C33 C34 H34 119.1 . .
N6 C35 C31 124.6(11) . .
N6 C35 C36 114.8(10) . .
C31 C35 C36 120.5(11) . .
N5 C36 C28 123.6(12) . .
N5 C36 C35 116.9(10) . .
C28 C36 C35 119.5(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
As1 Se3 2.271(2) .
As1 Se2 2.411(2) .
As1 Se1 2.418(2) .
As2 Se6 2.285(3) .
As2 Se5 2.371(4) .
As2 Se4 2.542(4) 2_675
Se1 Se2 2.350(2) 2_776
Se2 Se1 2.350(2) 2_776
Se4 Se5 2.335(3) .
Se4 As2 2.542(4) 2_675
Fe1 N3 1.962(9) .
Fe1 N4 1.970(9) .
Fe1 N1 1.973(9) .
Fe1 N6 1.984(9) .
Fe1 N2 1.984(9) .
Fe1 N5 1.984(9) .
N1 C1 1.323(16) .
N1 C12 1.385(15) .
N2 C10 1.329(15) .
N2 C11 1.379(15) .
N3 C13 1.360(14) .
N3 C24 1.369(14) .
N4 C22 1.324(14) .
N4 C23 1.374(14) .
N5 C25 1.306(16) .
N5 C36 1.358(14) .
N6 C34 1.316(15) .
N6 C35 1.360(15) .
C1 C2 1.413(19) .
C1 H1 0.9300 .
C2 C3 1.39(2) .
C2 H2 0.9300 .
C3 C4 1.38(2) .
C3 H3 0.9300 .
C4 C12 1.392(18) .
C4 C5 1.46(2) .
C5 C6 1.34(2) .
C5 H5 0.9300 .
C6 C7 1.43(2) .
C6 H6 0.9300 .
C7 C8 1.39(2) .
C7 C11 1.412(16) .
C8 C9 1.35(2) .
C8 H8 0.9300 .
C9 C10 1.385(17) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.383(17) .
C13 C14 1.399(18) .
C13 H13 0.9300 .
C14 C15 1.36(2) .
C14 H14 0.9300 .
C15 C16 1.375(18) .
C15 H15 0.9300 .
C16 C17 1.402(19) .
C16 C24 1.406(16) .
C17 C18 1.37(2) .
C17 H17 0.9300 .
C18 C19 1.430(17) .
C18 H18 0.9300 .
C19 C20 1.398(17) .
C19 C23 1.399(15) .
C20 C21 1.36(2) .
C20 H20 0.9300 .
C21 C22 1.414(19) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C24 1.436(15) .
C25 C26 1.411(18) .
C25 H25 0.9300 .
C26 C27 1.36(2) .
C26 H26 0.9300 .
C27 C28 1.41(2) .
C27 H27 0.9300 .
C28 C36 1.395(16) .
C28 C29 1.426(19) .
C29 C30 1.33(2) .
C29 H29 0.9300 .
C30 C31 1.42(2) .
C30 H30 0.9300 .
C31 C32 1.39(2) .
C31 C35 1.391(16) .
C32 C33 1.35(2) .
C32 H32 0.9300 .
C33 C34 1.429(18) .
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 C36 1.432(17) .
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
Se3 As1 Se1 Se2 174.45(7) . 2_776
Se2 As1 Se1 Se2 76.37(8) . 2_776
Se3 As1 Se2 Se1 -171.21(7) . 2_776
Se1 As1 Se2 Se1 -75.77(8) . 2_776
As2 Se4 Se5 As2 -80.98(15) 2_675 .
Se6 As2 Se5 Se4 176.98(11) . .
Se4 As2 Se5 Se4 76.58(12) 2_675 .
N3 Fe1 N1 C1 92.8(11) . .
N4 Fe1 N1 C1 148(4) . .
N6 Fe1 N1 C1 -0.2(11) . .
N2 Fe1 N1 C1 -178.0(11) . .
N5 Fe1 N1 C1 -82.8(11) . .
N3 Fe1 N1 C12 -89.2(8) . .
N4 Fe1 N1 C12 -34(4) . .
N6 Fe1 N1 C12 177.8(8) . .
N2 Fe1 N1 C12 0.0(8) . .
N5 Fe1 N1 C12 95.1(8) . .
N3 Fe1 N2 C10 -83.6(11) . .
N4 Fe1 N2 C10 -0.4(11) . .
N1 Fe1 N2 C10 -177.1(11) . .
N6 Fe1 N2 C10 141(6) . .
N5 Fe1 N2 C10 92.0(11) . .
N3 Fe1 N2 C11 92.0(8) . .
N4 Fe1 N2 C11 175.3(8) . .
N1 Fe1 N2 C11 -1.5(8) . .
N6 Fe1 N2 C11 -43(7) . .
N5 Fe1 N2 C11 -92.3(8) . .
N4 Fe1 N3 C13 -178.3(10) . .
N1 Fe1 N3 C13 -3.1(10) . .
N6 Fe1 N3 C13 91.7(10) . .
N2 Fe1 N3 C13 -85.9(10) . .
N5 Fe1 N3 C13 136(3) . .
N4 Fe1 N3 C24 -1.5(7) . .
N1 Fe1 N3 C24 173.7(7) . .
N6 Fe1 N3 C24 -91.4(7) . .
N2 Fe1 N3 C24 90.9(7) . .
N5 Fe1 N3 C24 -48(4) . .
N3 Fe1 N4 C22 179.2(11) . .
N1 Fe1 N4 C22 124(4) . .
N6 Fe1 N4 C22 -88.1(11) . .
N2 Fe1 N4 C22 89.8(11) . .
N5 Fe1 N4 C22 -5.5(11) . .
N3 Fe1 N4 C23 1.5(7) . .
N1 Fe1 N4 C23 -54(4) . .
N6 Fe1 N4 C23 94.2(7) . .
N2 Fe1 N4 C23 -87.9(7) . .
N5 Fe1 N4 C23 176.8(7) . .
N3 Fe1 N5 C25 138(3) . .
N4 Fe1 N5 C25 92.1(11) . .
N1 Fe1 N5 C25 -83.5(11) . .
N6 Fe1 N5 C25 -177.9(11) . .
N2 Fe1 N5 C25 -0.5(11) . .
N3 Fe1 N5 C36 -39(4) . .
N4 Fe1 N5 C36 -84.9(8) . .
N1 Fe1 N5 C36 99.5(8) . .
N6 Fe1 N5 C36 5.1(7) . .
N2 Fe1 N5 C36 -177.5(7) . .
N3 Fe1 N6 C34 -9.2(11) . .
N4 Fe1 N6 C34 -92.5(11) . .
N1 Fe1 N6 C34 84.4(11) . .
N2 Fe1 N6 C34 126(6) . .
N5 Fe1 N6 C34 175.4(11) . .
N3 Fe1 N6 C35 168.8(8) . .
N4 Fe1 N6 C35 85.5(8) . .
N1 Fe1 N6 C35 -97.6(8) . .
N2 Fe1 N6 C35 -56(7) . .
N5 Fe1 N6 C35 -6.7(8) . .
C12 N1 C1 C2 -0.5(19) . .
Fe1 N1 C1 C2 177.3(9) . .
N1 C1 C2 C3 2(2) . .
C1 C2 C3 C4 0(2) . .
C2 C3 C4 C12 -3(2) . .
C2 C3 C4 C5 -179.0(13) . .
C3 C4 C5 C6 178.7(14) . .
C12 C4 C5 C6 2.7(19) . .
C4 C5 C6 C7 -3(2) . .
C5 C6 C7 C8 -178.7(13) . .
C5 C6 C7 C11 1.9(19) . .
C11 C7 C8 C9 1.2(18) . .
C6 C7 C8 C9 -178.3(12) . .
C7 C8 C9 C10 -1.6(19) . .
C11 N2 C10 C9 1.7(17) . .
Fe1 N2 C10 C9 177.1(9) . .
C8 C9 C10 N2 0.1(19) . .
C10 N2 C11 C12 179.0(11) . .
Fe1 N2 C11 C12 2.8(13) . .
C10 N2 C11 C7 -2.1(16) . .
Fe1 N2 C11 C7 -178.3(9) . .
C8 C7 C11 N2 0.7(17) . .
C6 C7 C11 N2 -179.9(11) . .
C8 C7 C11 C12 179.6(11) . .
C6 C7 C11 C12 -0.9(17) . .
N2 C11 C12 N1 -2.9(16) . .
C7 C11 C12 N1 178.2(10) . .
N2 C11 C12 C4 -180.0(11) . .
C7 C11 C12 C4 1.1(18) . .
C1 N1 C12 C11 179.7(11) . .
Fe1 N1 C12 C11 1.5(13) . .
C1 N1 C12 C4 -3.1(17) . .
Fe1 N1 C12 C4 178.6(9) . .
C3 C4 C12 C11 -178.0(12) . .
C5 C4 C12 C11 -1.8(18) . .
C3 C4 C12 N1 5.1(19) . .
C5 C4 C12 N1 -178.7(11) . .
C24 N3 C13 C14 6.2(15) . .
Fe1 N3 C13 C14 -177.1(9) . .
N3 C13 C14 C15 -5.5(18) . .
C13 C14 C15 C16 2.4(19) . .
C14 C15 C16 C17 -177.7(12) . .
C14 C15 C16 C24 -0.6(18) . .
C15 C16 C17 C18 -179.3(13) . .
C24 C16 C17 C18 3.6(18) . .
C16 C17 C18 C19 -1(2) . .
C17 C18 C19 C20 -179.8(12) . .
C17 C18 C19 C23 -0.9(19) . .
C23 C19 C20 C21 1.2(18) . .
C18 C19 C20 C21 -179.9(13) . .
C19 C20 C21 C22 -1(2) . .
C23 N4 C22 C21 -1.2(17) . .
Fe1 N4 C22 C21 -178.8(9) . .
C20 C21 C22 N4 1(2) . .
C22 N4 C23 C19 1.4(16) . .
Fe1 N4 C23 C19 179.4(9) . .
C22 N4 C23 C24 -179.3(10) . .
Fe1 N4 C23 C24 -1.2(11) . .
C20 C19 C23 N4 -1.4(17) . .
C18 C19 C23 N4 179.7(10) . .
C20 C19 C23 C24 179.3(10) . .
C18 C19 C23 C24 0.4(16) . .
C13 N3 C24 C16 -4.4(15) . .
Fe1 N3 C24 C16 178.4(8) . .
C13 N3 C24 C23 178.5(9) . .
Fe1 N3 C24 C23 1.2(11) . .
C15 C16 C24 N3 1.6(16) . .
C17 C16 C24 N3 178.9(10) . .
C15 C16 C24 C23 178.6(10) . .
C17 C16 C24 C23 -4.1(16) . .
N4 C23 C24 N3 0.0(13) . .
C19 C23 C24 N3 179.4(9) . .
N4 C23 C24 C16 -177.2(10) . .
C19 C23 C24 C16 2.1(15) . .
C36 N5 C25 C26 -1.1(18) . .
Fe1 N5 C25 C26 -177.9(9) . .
N5 C25 C26 C27 2(2) . .
C25 C26 C27 C28 -2(2) . .
C26 C27 C28 C36 2(2) . .
C26 C27 C28 C29 178.8(13) . .
C36 C28 C29 C30 -4(2) . .
C27 C28 C29 C30 179.3(14) . .
C28 C29 C30 C31 1(2) . .
C29 C30 C31 C32 -175.7(14) . .
C29 C30 C31 C35 2.1(19) . .
C35 C31 C32 C33 0(2) . .
C30 C31 C32 C33 178.3(13) . .
C31 C32 C33 C34 -1(2) . .
C35 N6 C34 C33 -1.1(18) . .
Fe1 N6 C34 C33 176.8(9) . .
C32 C33 C34 N6 1(2) . .
C34 N6 C35 C31 1.1(17) . .
Fe1 N6 C35 C31 -177.2(9) . .
C34 N6 C35 C36 -174.8(10) . .
Fe1 N6 C35 C36 7.0(12) . .
C32 C31 C35 N6 -0.7(18) . .
C30 C31 C35 N6 -178.7(11) . .
C32 C31 C35 C36 174.9(11) . .
C30 C31 C35 C36 -3.1(17) . .
C25 N5 C36 C28 0.2(17) . .
Fe1 N5 C36 C28 177.6(9) . .
C25 N5 C36 C35 179.9(10) . .
Fe1 N5 C36 C35 -2.8(12) . .
C27 C28 C36 N5 -0.5(18) . .
C29 C28 C36 N5 -177.8(11) . .
C27 C28 C36 C35 179.9(11) . .
C29 C28 C36 C35 2.6(17) . .
N6 C35 C36 N5 -2.8(15) . .
C31 C35 C36 N5 -178.9(10) . .
N6 C35 C36 C28 176.8(10) . .
C31 C35 C36 C28 0.8(17) . .
