#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:14:52 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179237 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/57/4315734.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_4315734
loop_
_publ_author_name
'Valentyna V. Semenaka'
'Oksana V. Nesterova'
'Volodymyr N. Kokozay'
'Viktoriya V. Dyakonenko'
'Roman I. Zubatyuk'
'Oleg V. Shishkin'
'Roman Boča'
'Julia Jezierska'
'Andrew Ozarowski'
_publ_section_title
;
 CrIII-CrIII Interactions in Two Alkoxo-Bridged Heterometallic Zn2Cr2
 Complexes Self-Assembled from Zinc Oxide, Reinecke's Salt, and
 Diethanolamine
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5460
_journal_page_last               5471
_journal_paper_doi               10.1021/ic1000123
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C20 H38 Cr2 N8 O8 S4 Zn2, 4(C2 H6 O S)'
_chemical_formula_sum            'C28 H62 Cr2 N8 O12 S8 Zn2'
_chemical_formula_weight         1194.08
_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   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.36(3)
_cell_angle_beta                 94.28(4)
_cell_angle_gamma                108.77(4)
_cell_formula_units_Z            1
_cell_length_a                   9.782(5)
_cell_length_b                   11.095(4)
_cell_length_c                   12.188(5)
_cell_measurement_temperature    100(2)
_cell_volume                     1244.1(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.1827
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  Xcalibur"3
_diffrn_measurement_method       ω-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0246
_diffrn_reflns_av_sigmaI/netI    0.0553
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12557
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.91
_diffrn_standards_interval_count 50
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.772
_exptl_absorpt_correction_T_max  0.7083
_exptl_absorpt_correction_T_min  0.5302
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
'Blessing, R. H. Acta Crystallogr., Sect A 1995, 51, 33-38.'
_exptl_crystal_density_diffrn    1.594
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             618
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.490
_refine_diff_density_min         -0.469
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.878
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         7118
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.878
_refine_ls_R_factor_all          0.0535
_refine_ls_R_factor_gt           0.0319
_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)+(0.0336P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0643
_refine_ls_wR_factor_ref         0.0681
_reflns_number_gt                4948
_reflns_number_total             7118
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1000123_si_002_1.cif
_cod_data_source_block           koko117
_cod_original_cell_volume        1244.2(9)
_cod_database_code               4315734
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
Cr1 Cr 0.12787(3) 0.09357(3) 0.56997(2) 0.01407(7) Uani 1 1 d . . .
Zn1 Zn 0.07824(2) 0.15570(2) 0.308604(19) 0.01719(6) Uani 1 1 d . . .
S1 S 0.37351(6) 0.18261(5) 0.01263(5) 0.02785(12) Uani 1 1 d . . .
S2 S -0.24491(6) 0.38012(6) 0.36860(5) 0.03255(13) Uani 1 1 d . . .
S3 S 0.54401(5) 0.51517(5) 0.71091(5) 0.02406(11) Uani 1 1 d . . .
S4 S -0.10692(6) 0.31189(5) 0.00324(5) 0.02946(13) Uani 1 1 d . . .
N1 N 0.12279(16) 0.26071(15) 0.65208(13) 0.0175(3) Uani 1 1 d . . .
H1N H 0.1972 0.3281 0.6483 0.021 Uiso 1 1 d R . .
N2 N 0.34534(16) 0.12341(15) 0.62485(13) 0.0171(3) Uani 1 1 d . . .
H2N H 0.3805 0.2036 0.6616 0.020 Uiso 1 1 d R . .
N3 N 0.19412(18) 0.17695(17) 0.18151(15) 0.0254(4) Uani 1 1 d . . .
N4 N -0.03353(18) 0.27357(16) 0.31325(15) 0.0235(4) Uani 1 1 d . . .
O1 O -0.05318(13) -0.02209(12) 0.29416(11) 0.0176(3) Uani 1 1 d . . .
O2 O 0.06370(13) -0.08504(12) 0.50140(11) 0.0160(3) Uani 1 1 d . . .
O3 O 0.57761(16) 0.19724(15) 0.79084(14) 0.0325(4) Uani 1 1 d . . .
H3A H 0.6631 0.2186 0.8154 0.049 Uiso 1 1 calc R . .
O4 O 0.21143(13) 0.16791(13) 0.43967(11) 0.0172(3) Uani 1 1 d . . .
O5 O 0.42163(15) 0.40339(14) 0.65412(13) 0.0297(4) Uani 1 1 d . . .
O6 O -0.14424(16) 0.30240(15) -0.11993(13) 0.0320(4) Uani 1 1 d . . .
C1 C 0.12899(19) -0.15701(18) 0.43480(17) 0.0186(4) Uani 1 1 d . . .
H1A H 0.2072 -0.1734 0.4784 0.022 Uiso 1 1 calc R . .
H1B H 0.1690 -0.1094 0.3738 0.022 Uiso 1 1 calc R . .
C2 C -0.0136(2) 0.28256(18) 0.60902(17) 0.0201(4) Uani 1 1 d . . .
H2A H 0.0067 0.3393 0.5503 0.024 Uiso 1 1 calc R . .
H2B H -0.0494 0.3234 0.6678 0.024 Uiso 1 1 calc R . .
C3 C -0.1339(2) -0.24302(19) 0.22745(16) 0.0208(4) Uani 1 1 d . . .
H3B H -0.2339 -0.2552 0.2011 0.025 Uiso 1 1 calc R . .
H3C H -0.1030 -0.3059 0.1867 0.025 Uiso 1 1 calc R . .
C4 C -0.0388(2) -0.10972(19) 0.20840(16) 0.0201(4) Uani 1 1 d . . .
H4B H 0.0616 -0.1064 0.2094 0.024 Uiso 1 1 calc R . .
H4C H -0.0685 -0.0870 0.1370 0.024 Uiso 1 1 calc R . .
C5 C 0.3726(2) 0.0349(2) 0.70337(17) 0.0208(4) Uani 1 1 d . . .
H5B H 0.3395 -0.0509 0.6668 0.025 Uiso 1 1 calc R . .
H5C H 0.3155 0.0350 0.7651 0.025 Uiso 1 1 calc R . .
C6 C 0.5305(2) 0.06774(19) 0.74759(17) 0.0213(4) Uani 1 1 d . . .
H6B H 0.5402 0.0133 0.8050 0.026 Uiso 1 1 calc R . .
H6C H 0.5879 0.0561 0.6888 0.026 Uiso 1 1 calc R . .
C7 C 0.4204(2) 0.12755(19) 0.52262(16) 0.0200(4) Uani 1 1 d . . .
H7A H 0.4001 0.0416 0.4886 0.024 Uiso 1 1 calc R . .
H7B H 0.5245 0.1652 0.5407 0.024 Uiso 1 1 calc R . .
C8 C 0.36700(19) 0.20686(19) 0.44317(16) 0.0189(4) Uani 1 1 d . . .
H8A H 0.4091 0.2969 0.4680 0.023 Uiso 1 1 calc R . .
H8B H 0.3955 0.1935 0.3701 0.023 Uiso 1 1 calc R . .
C9 C 0.2690(2) 0.17829(18) 0.11140(16) 0.0202(4) Uani 1 1 d . . .
C10 C -0.1212(2) 0.3183(2) 0.33737(17) 0.0226(4) Uani 1 1 d . . .
C11 C 0.7049(2) 0.4843(2) 0.6796(2) 0.0402(6) Uani 1 1 d . . .
H11A H 0.7170 0.4934 0.6027 0.060 Uiso 1 1 calc R . .
H11B H 0.6977 0.3989 0.6955 0.060 Uiso 1 1 calc R . .
H11C H 0.7869 0.5440 0.7235 0.060 Uiso 1 1 calc R . .
C12 C 0.5487(3) 0.4859(2) 0.8523(2) 0.0428(6) Uani 1 1 d . . .
H12A H 0.4662 0.4985 0.8828 0.064 Uiso 1 1 calc R . .
H12B H 0.6361 0.5438 0.8915 0.064 Uiso 1 1 calc R . .
H12C H 0.5464 0.3995 0.8591 0.064 Uiso 1 1 calc R . .
C13 C -0.2026(3) 0.1597(2) 0.0464(2) 0.0451(7) Uani 1 1 d . . .
H13A H -0.1668 0.0964 0.0137 0.068 Uiso 1 1 calc R . .
H13B H -0.3042 0.1384 0.0233 0.068 Uiso 1 1 calc R . .
H13C H -0.1884 0.1623 0.1254 0.068 Uiso 1 1 calc R . .
C14 C -0.2103(3) 0.4003(2) 0.0625(2) 0.0350(5) Uani 1 1 d . . .
H14A H -0.1817 0.4845 0.0376 0.053 Uiso 1 1 calc R . .
H14B H -0.1935 0.4063 0.1416 0.053 Uiso 1 1 calc R . .
H14C H -0.3116 0.3577 0.0403 0.053 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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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
O4 Cr1 O1 177.10(6) . 2_556 ?
O4 Cr1 O2 87.64(6) . 2_556 ?
O1 Cr1 O2 95.07(7) 2_556 2_556 ?
O4 Cr1 O2 94.46(7) . . ?
O1 Cr1 O2 86.98(7) 2_556 . ?
O2 Cr1 O2 81.02(7) 2_556 . ?
O4 Cr1 N1 97.37(7) . . ?
O1 Cr1 N1 81.92(7) 2_556 . ?
O2 Cr1 N1 84.39(7) 2_556 . ?
O2 Cr1 N1 160.78(6) . . ?
O4 Cr1 N2 82.85(7) . . ?
O1 Cr1 N2 94.40(7) 2_556 . ?
O2 Cr1 N2 170.19(6) 2_556 . ?
O2 Cr1 N2 102.05(7) . . ?
N1 Cr1 N2 94.43(8) . . ?
O4 Zn1 N4 115.65(8) . . ?
O4 Zn1 O1 104.83(7) . . ?
N4 Zn1 O1 110.16(7) . . ?
O4 Zn1 N3 106.75(7) . . ?
N4 Zn1 N3 111.73(8) . . ?
O1 Zn1 N3 107.18(8) . . ?
O5 S3 C12 104.83(12) . . ?
O5 S3 C11 104.99(12) . . ?
C12 S3 C11 98.75(14) . . ?
O6 S4 C13 105.93(11) . . ?
O6 S4 C14 106.00(11) . . ?
C13 S4 C14 98.21(13) . . ?
C3 N1 C2 114.68(16) 2_556 . ?
C3 N1 Cr1 106.55(12) 2_556 . ?
C2 N1 Cr1 107.51(12) . . ?
C3 N1 H1N 101.6 2_556 . ?
C2 N1 H1N 110.6 . . ?
Cr1 N1 H1N 116.1 . . ?
C5 N2 C7 114.53(15) . . ?
C5 N2 Cr1 116.43(12) . . ?
C7 N2 Cr1 105.21(12) . . ?
C5 N2 H2N 106.2 . . ?
C7 N2 H2N 107.4 . . ?
Cr1 N2 H2N 106.6 . . ?
C9 N3 Zn1 171.68(18) . . ?
C10 N4 Zn1 159.68(17) . . ?
C4 O1 Cr1 117.14(11) . 2_556 ?
C4 O1 Zn1 119.33(11) . . ?
Cr1 O1 Zn1 116.96(8) 2_556 . ?
C1 O2 Cr1 110.65(11) . 2_556 ?
C1 O2 Cr1 134.17(11) . . ?
Cr1 O2 Cr1 98.98(7) 2_556 . ?
C6 O3 H3A 109.5 . . ?
C8 O4 Cr1 116.10(11) . . ?
C8 O4 Zn1 125.58(11) . . ?
Cr1 O4 Zn1 117.40(7) . . ?
O2 C1 C2 108.49(15) . 2_556 ?
O2 C1 H1A 110.0 . . ?
C2 C1 H1A 110.0 2_556 . ?
O2 C1 H1B 110.0 . . ?
C2 C1 H1B 110.0 2_556 . ?
H1A C1 H1B 108.4 . . ?
N1 C2 C1 110.77(16) . 2_556 ?
N1 C2 H2A 109.5 . . ?
C1 C2 H2A 109.5 2_556 . ?
N1 C2 H2B 109.5 . . ?
C1 C2 H2B 109.5 2_556 . ?
H2A C2 H2B 108.1 . . ?
N1 C3 C4 109.45(16) 2_556 . ?
N1 C3 H3B 109.8 2_556 . ?
C4 C3 H3B 109.8 . . ?
N1 C3 H3C 109.8 2_556 . ?
C4 C3 H3C 109.8 . . ?
H3B C3 H3C 108.2 . . ?
O1 C4 C3 108.52(15) . . ?
O1 C4 H4B 110.0 . . ?
C3 C4 H4B 110.0 . . ?
O1 C4 H4C 110.0 . . ?
C3 C4 H4C 110.0 . . ?
H4B C4 H4C 108.4 . . ?
N2 C5 C6 114.08(16) . . ?
N2 C5 H5B 108.7 . . ?
C6 C5 H5B 108.7 . . ?
N2 C5 H5C 108.7 . . ?
C6 C5 H5C 108.7 . . ?
H5B C5 H5C 107.6 . . ?
O3 C6 C5 106.67(17) . . ?
O3 C6 H6B 110.4 . . ?
C5 C6 H6B 110.4 . . ?
O3 C6 H6C 110.4 . . ?
C5 C6 H6C 110.4 . . ?
H6B C6 H6C 108.6 . . ?
N2 C7 C8 108.94(16) . . ?
N2 C7 H7A 109.9 . . ?
C8 C7 H7A 109.9 . . ?
N2 C7 H7B 109.9 . . ?
C8 C7 H7B 109.9 . . ?
H7A C7 H7B 108.3 . . ?
O4 C8 C7 108.16(14) . . ?
O4 C8 H8A 110.1 . . ?
C7 C8 H8A 110.1 . . ?
O4 C8 H8B 110.1 . . ?
C7 C8 H8B 110.1 . . ?
H8A C8 H8B 108.4 . . ?
N3 C9 S1 178.9(2) . . ?
N4 C10 S2 178.9(2) . . ?
S3 C11 H11A 109.5 . . ?
S3 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
S3 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
S3 C12 H12A 109.5 . . ?
S3 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
S3 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
S4 C13 H13A 109.5 . . ?
S4 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
S4 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
S4 C14 H14A 109.5 . . ?
S4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
S4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
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
Cr1 O4 1.9453(15) . ?
Cr1 O1 1.9663(16) 2_556 ?
Cr1 O2 1.9774(16) 2_556 ?
Cr1 O2 1.9866(16) . ?
Cr1 N1 2.0718(18) . ?
Cr1 N2 2.0953(19) . ?
Zn1 O4 1.9540(16) . ?
Zn1 N4 1.9568(19) . ?
Zn1 O1 1.9669(16) . ?
Zn1 N3 1.9680(19) . ?
S1 C9 1.629(2) . ?
S2 C10 1.629(2) . ?
S3 O5 1.5068(17) . ?
S3 C12 1.772(3) . ?
S3 C11 1.778(3) . ?
S4 O6 1.5076(18) . ?
S4 C13 1.779(3) . ?
S4 C14 1.781(3) . ?
N1 C3 1.493(3) 2_556 ?
N1 C2 1.495(2) . ?
N1 H1N 0.8659 . ?
N2 C5 1.481(3) . ?
N2 C7 1.489(3) . ?
N2 H2N 0.9188 . ?
N3 C9 1.164(3) . ?
N4 C10 1.167(3) . ?
O1 C4 1.431(2) . ?
O1 Cr1 1.9663(16) 2_556 ?
O2 C1 1.426(2) . ?
O2 Cr1 1.9774(16) 2_556 ?
O3 C6 1.415(3) . ?
O3 H3A 0.8200 . ?
O4 C8 1.438(2) . ?
C1 C2 1.520(3) 2_556 ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C1 1.520(3) 2_556 ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 N1 1.493(3) 2_556 ?
C3 C4 1.514(3) . ?
C3 H3B 0.9700 . ?
C3 H3C 0.9700 . ?
C4 H4B 0.9700 . ?
C4 H4C 0.9700 . ?
C5 C6 1.516(3) . ?
C5 H5B 0.9700 . ?
C5 H5C 0.9700 . ?
C6 H6B 0.9700 . ?
C6 H6C 0.9700 . ?
C7 C8 1.519(3) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
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
O4 Cr1 N1 C3 -152.17(11) . . . 2_556 ?
O1 Cr1 N1 C3 25.00(11) 2_556 . . 2_556 ?
O2 Cr1 N1 C3 120.95(12) 2_556 . . 2_556 ?
O2 Cr1 N1 C3 80.3(2) . . . 2_556 ?
N2 Cr1 N1 C3 -68.83(12) . . . 2_556 ?
O4 Cr1 N1 C2 84.43(12) . . . . ?
O1 Cr1 N1 C2 -98.41(12) 2_556 . . . ?
O2 Cr1 N1 C2 -2.45(11) 2_556 . . . ?
O2 Cr1 N1 C2 -43.1(2) . . . . ?
N2 Cr1 N1 C2 167.77(12) . . . . ?
O4 Cr1 N2 C5 -151.48(15) . . . . ?
O1 Cr1 N2 C5 29.42(15) 2_556 . . . ?
O2 Cr1 N2 C5 -58.42(15) . . . . ?
N1 Cr1 N2 C5 111.63(15) . . . . ?
O4 Cr1 N2 C7 -23.48(12) . . . . ?
O1 Cr1 N2 C7 157.42(12) 2_556 . . . ?
O2 Cr1 N2 C7 69.58(12) . . . . ?
N1 Cr1 N2 C7 -120.37(12) . . . . ?
O4 Zn1 N4 C10 -73.8(5) . . . . ?
O1 Zn1 N4 C10 44.8(5) . . . . ?
N3 Zn1 N4 C10 163.8(5) . . . . ?
O4 Zn1 O1 C4 -106.82(14) . . . . ?
N4 Zn1 O1 C4 128.13(14) . . . . ?
N3 Zn1 O1 C4 6.38(15) . . . . ?
O4 Zn1 O1 Cr1 43.96(9) . . . 2_556 ?
N4 Zn1 O1 Cr1 -81.09(10) . . . 2_556 ?
N3 Zn1 O1 Cr1 157.15(8) . . . 2_556 ?
O4 Cr1 O2 C1 43.74(17) . . . . ?
O1 Cr1 O2 C1 -133.73(17) 2_556 . . . ?
O2 Cr1 O2 C1 130.64(18) 2_556 . . . ?
N1 Cr1 O2 C1 171.67(18) . . . . ?
N2 Cr1 O2 C1 -39.88(17) . . . . ?
O4 Cr1 O2 Cr1 -86.90(7) . . . 2_556 ?
O1 Cr1 O2 Cr1 95.63(7) 2_556 . . 2_556 ?
O2 Cr1 O2 Cr1 0.0 2_556 . . 2_556 ?
N1 Cr1 O2 Cr1 41.0(2) . . . 2_556 ?
N2 Cr1 O2 Cr1 -170.52(6) . . . 2_556 ?
O2 Cr1 O4 C8 176.36(13) 2_556 . . . ?
O2 Cr1 O4 C8 -102.85(13) . . . . ?
N1 Cr1 O4 C8 92.33(14) . . . . ?
N2 Cr1 O4 C8 -1.23(13) . . . . ?
O1 Cr1 O4 Zn1 -173.6(11) 2_556 . . . ?
O2 Cr1 O4 Zn1 -14.00(8) 2_556 . . . ?
O2 Cr1 O4 Zn1 66.79(9) . . . . ?
N1 Cr1 O4 Zn1 -98.03(9) . . . . ?
N2 Cr1 O4 Zn1 168.41(9) . . . . ?
N4 Zn1 O4 C8 -115.33(15) . . . . ?
O1 Zn1 O4 C8 123.16(14) . . . . ?
N3 Zn1 O4 C8 9.66(16) . . . . ?
N4 Zn1 O4 Cr1 76.12(10) . . . . ?
O1 Zn1 O4 Cr1 -45.39(9) . . . . ?
N3 Zn1 O4 Cr1 -158.89(8) . . . . ?
Cr1 O2 C1 C2 -43.00(17) 2_556 . . 2_556 ?
Cr1 O2 C1 C2 -169.78(12) . . . 2_556 ?
C3 N1 C2 C1 -92.3(2) 2_556 . . 2_556 ?
Cr1 N1 C2 C1 25.96(18) . . . 2_556 ?
Cr1 O1 C4 C3 19.75(19) 2_556 . . . ?
Zn1 O1 C4 C3 170.47(12) . . . . ?
N1 C3 C4 O1 -40.8(2) 2_556 . . . ?
C7 N2 C5 C6 61.6(2) . . . . ?
Cr1 N2 C5 C6 -175.14(13) . . . . ?
N2 C5 C6 O3 53.1(2) . . . . ?
C5 N2 C7 C8 172.19(16) . . . . ?
Cr1 N2 C7 C8 43.05(17) . . . . ?
Cr1 O4 C8 C7 25.52(19) . . . . ?
Zn1 O4 C8 C7 -143.16(13) . . . . ?
N2 C7 C8 O4 -45.6(2) . . . . ?
