#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:11:05 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179049 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/11/4301137.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_4301137
loop_
_publ_author_name
'Qing Wang'
'Jianyong Zhang'
'Chun-Feng Zhuang'
'Yu Tang'
'Cheng-Yong Su'
_publ_section_title
;
Guest Inclusion and Interpenetration Tuning of Cd(II)/Mn(II) Coordination
Grid Networks Assembled from a Rigid Linear Diimidazole Schiff Base Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              287
_journal_page_last               295
_journal_paper_doi               10.1021/ic801770n
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C54 H45 F6 Mn N12 O6 S2'
_chemical_formula_weight         1191.08
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/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                 116.391(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.6416(8)
_cell_length_b                   20.2360(6)
_cell_length_c                   15.0415(5)
_cell_measurement_reflns_used    6167
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.6389
_cell_measurement_theta_min      2.9200
_cell_volume                     5355.4(4)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 16.0855
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Oxford Germini S Ultra'
_diffrn_measurement_method       'π and ω scan'
_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  0.0273
_diffrn_reflns_av_sigmaI/netI    0.0577
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16788
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         2.93
_exptl_absorpt_coefficient_mu    0.409
_exptl_absorpt_correction_T_max  0.9227
_exptl_absorpt_correction_T_min  0.8536
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.477
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2448
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.199
_refine_diff_density_min         -0.799
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    geom
_refine_ls_matrix_type           full
_refine_ls_number_parameters     426
_refine_ls_number_reflns         6577
_refine_ls_number_restraints     278
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0893
_refine_ls_R_factor_gt           0.0569
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+1.9530P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1596
_refine_ls_wR_factor_ref         0.1743
_reflns_number_gt                3950
_reflns_number_total             6577
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic801770n_si_001_11.cif
_cod_data_source_block           11
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        5355.4(3)
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4301137
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.5000 0.0000 0.0000 0.0270(2) Uani 1 4 d S . .
Mn2 Mn 1.5000 -0.5000 1.0000 0.0393(3) Uani 1 4 d S . .
C1 C 0.60598(15) -0.09554(14) 0.1741(2) 0.0331(6) Uani 1 1 d . . .
H1A H 0.6494 -0.0738 0.1757 0.040 Uiso 1 1 calc R . .
C2 C 0.49132(16) -0.12265(17) 0.1365(2) 0.0469(8) Uani 1 1 d . . .
H2A H 0.4373 -0.1233 0.1050 0.056 Uiso 1 1 calc R . .
C3 C 0.53512(16) -0.16385(17) 0.2083(2) 0.0478(8) Uani 1 1 d . . .
H3A H 0.5186 -0.1982 0.2372 0.057 Uiso 1 1 calc R . .
C4 C 0.67815(15) -0.17683(15) 0.3051(2) 0.0350(6) Uani 1 1 d . . .
C5 C 0.73812(16) -0.13706(15) 0.3649(2) 0.0397(7) Uani 1 1 d . . .
H5A H 0.7332 -0.0903 0.3601 0.048 Uiso 1 1 calc R . .
C6 C 0.80516(17) -0.16547(15) 0.4315(2) 0.0395(7) Uani 1 1 d . . .
H6A H 0.8462 -0.1380 0.4730 0.047 Uiso 1 1 calc R . .
C7 C 0.81378(16) -0.23392(14) 0.4389(2) 0.0339(6) Uani 1 1 d . . .
C8 C 0.75167(17) -0.27290(15) 0.3789(2) 0.0388(7) Uani 1 1 d . . .
H8A H 0.7561 -0.3196 0.3839 0.047 Uiso 1 1 calc R . .
C9 C 0.68398(17) -0.24504(14) 0.3125(2) 0.0368(6) Uani 1 1 d . . .
H9A H 0.6420 -0.2722 0.2725 0.044 Uiso 1 1 calc R . .
C10 C 0.88788(17) -0.26332(14) 0.5089(2) 0.0350(6) Uani 1 1 d . . .
C11 C 0.89831(18) -0.33665(15) 0.5069(2) 0.0478(8) Uani 1 1 d . . .
H11A H 0.9493 -0.3487 0.5572 0.072 Uiso 1 1 calc R . .
H11B H 0.8924 -0.3498 0.4412 0.072 Uiso 1 1 calc R . .
H11C H 0.8601 -0.3593 0.5212 0.072 Uiso 1 1 calc R . .
C12 C 1.06186(17) -0.21417(14) 0.6808(2) 0.0361(6) Uani 1 1 d . . .
C13 C 1.0588(2) -0.14037(16) 0.6702(3) 0.0585(9) Uani 1 1 d . . .
H13A H 1.0082 -0.1271 0.6203 0.088 Uiso 1 1 calc R . .
H13B H 1.0970 -0.1258 0.6494 0.088 Uiso 1 1 calc R . .
H13C H 1.0691 -0.1200 0.7341 0.088 Uiso 1 1 calc R . .
C14 C 1.13253(16) -0.24638(14) 0.7526(2) 0.0343(6) Uani 1 1 d . . .
C15 C 1.19694(17) -0.21058(15) 0.8129(2) 0.0406(7) Uani 1 1 d . . .
H15A H 1.1956 -0.1637 0.8089 0.049 Uiso 1 1 calc R . .
C16 C 1.26308(17) -0.24149(15) 0.8786(2) 0.0406(7) Uani 1 1 d . . .
H16A H 1.3065 -0.2159 0.9187 0.049 Uiso 1 1 calc R . .
C17 C 1.26584(15) -0.30918(15) 0.8857(2) 0.0348(6) Uani 1 1 d . . .
C18 C 1.20166(16) -0.34665(14) 0.8279(2) 0.0382(7) Uani 1 1 d . . .
H18A H 1.2030 -0.3934 0.8339 0.046 Uiso 1 1 calc R . .
C19 C 1.13650(16) -0.31542(14) 0.7621(2) 0.0368(6) Uani 1 1 d . . .
H19A H 1.0932 -0.3412 0.7221 0.044 Uiso 1 1 calc R . .
C20 C 1.35667(16) -0.40224(15) 0.9339(2) 0.0416(7) Uani 1 1 d . . .
H20A H 1.3270 -0.4294 0.8786 0.050 Uiso 1 1 calc R . .
C21 C 1.39213(17) -0.31847(19) 1.0364(2) 0.0484(8) Uani 1 1 d . . .
H21A H 1.3938 -0.2771 1.0673 0.058 Uiso 1 1 calc R . .
C22 C 1.44616(17) -0.36603(18) 1.0683(2) 0.0508(9) Uani 1 1 d . . .
H22A H 1.4927 -0.3634 1.1271 0.061 Uiso 1 1 calc R . .
C25 C -0.1144(6) 0.5000 0.3461(6) 0.100(2) Uani 1 2 d SDU . .
H25A H -0.1653 0.5000 0.2955 0.120 Uiso 1 2 calc SR . .
C26 C -0.0598(4) 0.5000 0.3147(5) 0.083(2) Uani 1 2 d SDU . .
H26A H -0.0734 0.5000 0.2457 0.100 Uiso 1 2 calc SR . .
C27 C 0.0127(5) 0.5000 0.3806(5) 0.0833(19) Uani 1 2 d SDU . .
C28 C 0.0672(5) 0.5000 0.3534(5) 0.0853(19) Uani 1 2 d SDU . .
H28A H 0.0551 0.5000 0.2848 0.102 Uiso 1 2 calc SR . .
C29 C 0.1445(5) 0.5000 0.4256(7) 0.115(3) Uani 1 2 d SDU . .
H29A H 0.1838 0.5000 0.4051 0.138 Uiso 1 2 calc SR . .
C30 C 0.1630(5) 0.5000 0.5273(8) 0.119(3) Uani 1 2 d SDU . .
H30A H 0.2146 0.5000 0.5758 0.143 Uiso 1 2 calc SR . .
C31 C 0.1057(4) 0.5000 0.5551(8) 0.103(2) Uani 1 2 d SDU . .
C32 C 0.0326(3) 0.5000 0.4913(5) 0.0692(16) Uani 1 2 d SDU . .
C23 C 0.7668(3) 0.0000 0.1041(4) 0.0665(15) Uani 1 2 d SDU . .
C24 C 1.6069(4) -0.5000 1.3468(5) 0.108(2) Uani 1 2 d SDU . .
S1 S 0.68323(7) -0.02496(6) 0.00417(9) 0.0296(3) Uani 0.50 1 d PDU . .
S2 S 1.61871(10) -0.47023(8) 1.25376(12) 0.0480(4) Uani 0.50 1 d PDU . .
F1 F 0.76654(15) 0.0000 0.19205(19) 0.0725(9) Uani 1 2 d SDU . .
F3 F 0.7689(3) 0.0741(2) 0.0929(4) 0.0888(15) Uani 0.50 1 d PDU . .
F4 F 1.5411(2) -0.5000 1.3481(3) 0.0981(12) Uani 1 2 d SDU . .
F5 F 1.6625(3) -0.5000 1.4394(3) 0.1113(14) Uani 1 2 d SDU . .
F6 F 1.6141(4) -0.5778(2) 1.3393(5) 0.0937(17) Uani 0.50 1 d PDU . .
O1 O 0.62127(14) 0.0000 0.0177(2) 0.0382(7) Uani 1 2 d SDU . .
O2 O 0.68939(18) 0.0000 -0.0829(2) 0.0455(7) Uani 1 2 d SDU . .
O3 O 0.6924(2) -0.09406(18) 0.0250(3) 0.0396(9) Uani 0.50 1 d PDU . .
O4 O 1.55788(18) -0.5000 1.1651(2) 0.0541(8) Uani 1 2 d SDU . .
O5 O 1.6928(2) -0.5000 1.2624(3) 0.0801(12) Uani 1 2 d SDU . .
O6 O 1.6130(3) -0.4030(2) 1.2778(5) 0.0601(14) Uani 0.50 1 d PDU . .
F2 F 0.83047(17) -0.0159(3) 0.1081(3) 0.064(2) Uani 0.50 1 d PD . .
N1 N 0.53555(12) -0.07900(12) 0.11443(16) 0.0337(5) Uani 1 1 d . . .
N2 N 0.60925(12) -0.14670(12) 0.23242(16) 0.0358(6) Uani 1 1 d . . .
N3 N 0.93861(14) -0.22256(12) 0.56566(17) 0.0375(6) Uani 1 1 d . . .
N4 N 1.00636(14) -0.25321(12) 0.63168(18) 0.0384(6) Uani 1 1 d . . .
N5 N 1.33456(12) -0.34202(12) 0.95052(17) 0.0371(6) Uani 1 1 d . . .
N6 N 1.42446(13) -0.41875(13) 1.00396(19) 0.0423(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'
F F 0.0171 0.0103 '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'
Mn Mn 0.3368 0.7283 '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
N1 Mn1 N1 87.98(12) 6 5_655 ?
N1 Mn1 N1 180.00(12) 6 2_655 ?
N1 Mn1 N1 92.02(12) 5_655 2_655 ?
N1 Mn1 N1 92.02(12) 6 . ?
N1 Mn1 N1 180.00(12) 5_655 . ?
N1 Mn1 N1 87.98(12) 2_655 . ?
N1 Mn1 O1 92.46(7) 6 5_655 ?
N1 Mn1 O1 87.54(7) 5_655 5_655 ?
N1 Mn1 O1 87.54(7) 2_655 5_655 ?
N1 Mn1 O1 92.46(7) . 5_655 ?
N1 Mn1 O1 87.54(7) 6 . ?
N1 Mn1 O1 92.46(7) 5_655 . ?
N1 Mn1 O1 92.46(7) 2_655 . ?
N1 Mn1 O1 87.54(7) . . ?
O1 Mn1 O1 180.00(14) 5_655 . ?
O4 Mn2 O4 180.000(1) 5_847 . ?
O4 Mn2 N6 89.21(9) 5_847 2_857 ?
O4 Mn2 N6 90.79(9) . 2_857 ?
O4 Mn2 N6 90.79(9) 5_847 6_545 ?
O4 Mn2 N6 89.21(9) . 6_545 ?
N6 Mn2 N6 180.00(9) 2_857 6_545 ?
O4 Mn2 N6 90.79(9) 5_847 . ?
O4 Mn2 N6 89.21(9) . . ?
N6 Mn2 N6 85.17(13) 2_857 . ?
N6 Mn2 N6 94.83(13) 6_545 . ?
O4 Mn2 N6 89.21(9) 5_847 5_847 ?
O4 Mn2 N6 90.79(9) . 5_847 ?
N6 Mn2 N6 94.83(13) 2_857 5_847 ?
N6 Mn2 N6 85.17(13) 6_545 5_847 ?
N6 Mn2 N6 180.000(1) . 5_847 ?
N1 C1 N2 111.9(2) . . ?
N1 C1 H1A 124.0 . . ?
N2 C1 H1A 124.0 . . ?
C3 C2 N1 110.3(2) . . ?
C3 C2 H2A 124.8 . . ?
N1 C2 H2A 124.8 . . ?
C2 C3 N2 106.3(3) . . ?
C2 C3 H3A 126.8 . . ?
N2 C3 H3A 126.8 . . ?
C5 C4 C9 120.9(3) . . ?
C5 C4 N2 119.3(3) . . ?
C9 C4 N2 119.9(3) . . ?
C6 C5 C4 119.6(3) . . ?
C6 C5 H5A 120.2 . . ?
C4 C5 H5A 120.2 . . ?
C5 C6 C7 121.1(3) . . ?
C5 C6 H6A 119.5 . . ?
C7 C6 H6A 119.5 . . ?
C6 C7 C8 118.0(3) . . ?
C6 C7 C10 120.0(3) . . ?
C8 C7 C10 122.0(3) . . ?
C9 C8 C7 121.4(3) . . ?
C9 C8 H8A 119.3 . . ?
C7 C8 H8A 119.3 . . ?
C8 C9 C4 118.9(3) . . ?
C8 C9 H9A 120.5 . . ?
C4 C9 H9A 120.5 . . ?
N3 C10 C7 116.1(3) . . ?
N3 C10 C11 125.2(3) . . ?
C7 C10 C11 118.7(3) . . ?
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 . . ?
N4 C12 C14 115.5(3) . . ?
N4 C12 C13 124.7(3) . . ?
C14 C12 C13 119.8(3) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 C19 117.4(3) . . ?
C15 C14 C12 122.3(3) . . ?
C19 C14 C12 120.3(3) . . ?
C16 C15 C14 121.6(3) . . ?
C16 C15 H15A 119.2 . . ?
C14 C15 H15A 119.2 . . ?
C17 C16 C15 119.9(3) . . ?
C17 C16 H16A 120.0 . . ?
C15 C16 H16A 120.0 . . ?
C16 C17 C18 120.0(3) . . ?
C16 C17 N5 120.6(3) . . ?
C18 C17 N5 119.4(3) . . ?
C19 C18 C17 119.5(3) . . ?
C19 C18 H18A 120.2 . . ?
C17 C18 H18A 120.2 . . ?
C18 C19 C14 121.5(3) . . ?
C18 C19 H19A 119.2 . . ?
C14 C19 H19A 119.2 . . ?
N6 C20 N5 111.9(3) . . ?
N6 C20 H20A 124.1 . . ?
N5 C20 H20A 124.1 . . ?
C22 C21 N5 106.0(3) . . ?
C22 C21 H21A 127.0 . . ?
N5 C21 H21A 127.0 . . ?
C21 C22 N6 110.7(3) . . ?
C21 C22 H22A 124.7 . . ?
N6 C22 H22A 124.7 . . ?
C26 C25 C31 128.4(8) . 5_566 ?
C26 C25 H25A 115.8 . . ?
C31 C25 H25A 115.8 5_566 . ?
C27 C26 C25 119.7(7) . . ?
C27 C26 H26A 120.1 . . ?
C25 C26 H26A 120.1 . . ?
C28 C27 C26 121.7(7) . . ?
C28 C27 C32 119.5(7) . . ?
C26 C27 C32 118.8(7) . . ?
C27 C28 C29 120.5(7) . . ?
C27 C28 H28A 119.8 . . ?
C29 C28 H28A 119.8 . . ?
C30 C29 C28 120.2(9) . . ?
C30 C29 H29A 119.9 . . ?
C28 C29 H29A 119.9 . . ?
C31 C30 C29 119.0(9) . . ?
C31 C30 H30A 120.5 . . ?
C29 C30 H30A 120.5 . . ?
C32 C31 C30 123.6(10) . . ?
C32 C31 C25 110.3(7) . 5_566 ?
C30 C31 C25 126.1(9) . 5_566 ?
C31 C32 C32 130.0(8) . 5_566 ?
C31 C32 C27 117.2(7) . . ?
C32 C32 C27 112.8(7) 5_566 . ?
F2 C23 F2 29.3(5) . 6 ?
F2 C23 F1 113.2(4) . . ?
F2 C23 F1 113.2(4) 6 . ?
F2 C23 F3 100.4(4) . . ?
F2 C23 F3 71.3(4) 6 . ?
F1 C23 F3 97.1(3) . . ?
F2 C23 F3 71.3(4) . 6 ?
F2 C23 F3 100.4(4) 6 6 ?
F1 C23 F3 97.1(3) . 6 ?
F3 C23 F3 165.5(5) . 6 ?
F2 C23 S1 130.4(4) . 6 ?
F2 C23 S1 120.0(3) 6 6 ?
F1 C23 S1 116.3(3) . 6 ?
F3 C23 S1 71.1(2) . 6 ?
F3 C23 S1 104.7(3) 6 6 ?
F2 C23 S1 120.0(3) . . ?
F2 C23 S1 130.4(4) 6 . ?
F1 C23 S1 116.3(3) . . ?
F3 C23 S1 104.7(3) . . ?
F3 C23 S1 71.1(2) 6 . ?
S1 C23 S1 33.83(13) 6 . ?
F4 C24 F5 110.0(6) . . ?
F4 C24 F6 97.0(3) . 6_545 ?
F5 C24 F6 91.0(3) . 6_545 ?
F4 C24 F6 97.0(4) . . ?
F5 C24 F6 91.0(3) . . ?
F6 C24 F6 164.3(7) 6_545 . ?
F4 C24 S2 122.2(5) . 6_545 ?
F5 C24 S2 122.2(5) . 6_545 ?
F6 C24 S2 104.7(4) 6_545 6_545 ?
F6 C24 S2 61.5(3) . 6_545 ?
F4 C24 S2 122.2(5) . . ?
F5 C24 S2 122.2(5) . . ?
F6 C24 S2 61.5(3) 6_545 . ?
F6 C24 S2 104.7(4) . . ?
S2 C24 S2 43.3(2) 6_545 . ?
S1 S1 O1 69.07(6) 6 . ?
S1 S1 O3 168.53(17) 6 . ?
O1 S1 O3 110.56(19) . . ?
S1 S1 O2 69.73(6) 6 . ?
O1 S1 O2 115.24(16) . . ?
O3 S1 O2 118.95(19) . . ?
S1 S1 C23 73.09(6) 6 . ?
O1 S1 C23 108.28(18) . . ?
O3 S1 C23 96.68(18) . . ?
O2 S1 C23 104.7(2) . . ?
S1 S1 F3 121.61(17) 6 6 ?
O1 S1 F3 129.5(2) . 6 ?
O3 S1 F3 49.2(2) . 6 ?
O2 S1 F3 114.3(2) . 6 ?
C23 S1 F3 48.92(17) . 6 ?
S2 S2 O6 162.7(3) 6_545 . ?
S2 S2 O4 65.76(8) 6_545 . ?
O6 S2 O4 119.9(3) . . ?
S2 S2 O5 66.76(8) 6_545 . ?
O6 S2 O5 122.3(3) . . ?
O4 S2 O5 106.0(2) . . ?
S2 S2 C24 68.34(11) 6_545 . ?
O6 S2 C24 94.5(3) . . ?
O4 S2 C24 105.0(3) . . ?
O5 S2 C24 105.9(3) . . ?
S2 S2 F6 126.2(2) 6_545 6_545 ?
O6 S2 F6 36.9(2) . 6_545 ?
O4 S2 F6 130.3(3) . 6_545 ?
O5 S2 F6 123.2(3) . 6_545 ?
C24 S2 F6 58.0(2) . 6_545 ?
O3 F3 C23 106.5(3) 6 . ?
O3 F3 F2 140.5(4) 6 6 ?
C23 F3 F2 47.4(3) . 6 ?
O3 F3 S1 48.2(2) 6 6 ?
C23 F3 S1 59.9(2) . 6 ?
F2 F3 S1 95.2(3) 6 6 ?
O6 F6 C24 119.2(6) 6_545 . ?
O6 F6 S2 59.3(4) 6_545 6_545 ?
C24 F6 S2 60.6(3) . 6_545 ?
S1 O1 S1 41.87(13) 6 . ?
S1 O1 Mn1 155.00(11) 6 . ?
S1 O1 Mn1 155.00(11) . . ?
S1 O2 S1 40.53(12) 6 . ?
S1 O3 F3 82.7(3) . 6 ?
S2 O4 S2 48.48(16) . 6_545 ?
S2 O4 Mn2 145.13(17) . . ?
S2 O4 Mn2 145.13(17) 6_545 . ?
S2 O5 S2 46.48(17) 6_545 . ?
F6 O6 S2 83.8(5) 6_545 . ?
F2 F2 C23 75.3(3) 6 . ?
F2 F2 F3 136.3(2) 6 6 ?
C23 F2 F3 61.4(2) . 6 ?
C1 N1 C2 104.9(2) . . ?
C1 N1 Mn1 125.80(18) . . ?
C2 N1 Mn1 129.24(18) . . ?
C1 N2 C3 106.5(2) . . ?
C1 N2 C4 125.3(2) . . ?
C3 N2 C4 128.1(2) . . ?
C10 N3 N4 113.5(2) . . ?
C12 N4 N3 115.6(2) . . ?
C20 N5 C21 106.8(2) . . ?
C20 N5 C17 125.2(2) . . ?
C21 N5 C17 127.9(3) . . ?
C20 N6 C22 104.6(3) . . ?
C20 N6 Mn2 127.6(2) . . ?
C22 N6 Mn2 126.04(18) . . ?
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
Mn1 N1 2.222(2) 6 ?
Mn1 N1 2.222(2) 5_655 ?
Mn1 N1 2.222(2) 2_655 ?
Mn1 N1 2.222(2) . ?
Mn1 O1 2.276(3) 5_655 ?
Mn1 O1 2.276(3) . ?
Mn2 O4 2.224(3) 5_847 ?
Mn2 O4 2.224(3) . ?
Mn2 N6 2.233(3) 2_857 ?
Mn2 N6 2.233(3) 6_545 ?
Mn2 N6 2.233(3) . ?
Mn2 N6 2.233(3) 5_847 ?
C1 N1 1.314(3) . ?
C1 N2 1.340(3) . ?
C1 H1A 0.9500 . ?
C2 C3 1.333(4) . ?
C2 N1 1.379(4) . ?
C2 H2A 0.9500 . ?
C3 N2 1.379(4) . ?
C3 H3A 0.9500 . ?
C4 C5 1.379(4) . ?
C4 C9 1.385(4) . ?
C4 N2 1.443(3) . ?
C5 C6 1.377(4) . ?
C5 H5A 0.9500 . ?
C6 C7 1.394(4) . ?
C6 H6A 0.9500 . ?
C7 C8 1.395(4) . ?
C7 C10 1.490(4) . ?
C8 C9 1.379(4) . ?
C8 H8A 0.9500 . ?
C9 H9A 0.9500 . ?
C10 N3 1.283(4) . ?
C10 C11 1.500(4) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 N4 1.281(4) . ?
C12 C14 1.479(4) . ?
C12 C13 1.500(4) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.388(4) . ?
C14 C19 1.403(4) . ?
C15 C16 1.384(4) . ?
C15 H15A 0.9500 . ?
C16 C17 1.373(4) . ?
C16 H16A 0.9500 . ?
C17 C18 1.395(4) . ?
C17 N5 1.430(3) . ?
C18 C19 1.375(4) . ?
C18 H18A 0.9500 . ?
C19 H19A 0.9500 . ?
C20 N6 1.322(4) . ?
C20 N5 1.354(4) . ?
C20 H20A 0.9500 . ?
C21 C22 1.353(5) . ?
C21 N5 1.370(4) . ?
C21 H21A 0.9500 . ?
C22 N6 1.375(4) . ?
C22 H22A 0.9500 . ?
C25 C26 1.350(9) . ?
C25 C31 1.418(11) 5_566 ?
C25 H25A 0.9500 . ?
C26 C27 1.325(9) . ?
C26 H26A 0.9500 . ?
C27 C28 1.305(9) . ?
C27 C32 1.532(9) . ?
C28 C29 1.420(10) . ?
C28 H28A 0.9500 . ?
C29 C30 1.406(11) . ?
C29 H29A 0.9500 . ?
C30 C31 1.364(10) . ?
C30 H30A 0.9500 . ?
C31 C32 1.326(9) . ?
C31 C25 1.418(11) 5_566 ?
C32 C32 1.416(12) 5_566 ?
C23 F2 1.267(5) . ?
C23 F2 1.267(5) 6 ?
C23 F1 1.324(5) . ?
C23 F3 1.512(5) . ?
C23 F3 1.512(5) 6 ?
C23 S1 1.736(5) 6 ?
C23 S1 1.736(5) . ?
C24 F4 1.300(7) . ?
C24 F5 1.334(7) . ?
C24 F6 1.589(5) 6_545 ?
C24 F6 1.589(5) . ?
C24 S2 1.632(7) 6_545 ?
C24 S2 1.632(7) . ?
S1 S1 1.010(3) 6 ?
S1 O1 1.414(3) . ?
S1 O3 1.427(4) . ?
S1 O2 1.458(3) . ?
S1 F3 1.899(5) 6 ?
S2 S2 1.205(3) 6_545 ?
S2 O6 1.425(5) . ?
S2 O4 1.467(3) . ?
S2 O5 1.527(4) . ?
S2 F6 1.647(6) 6_545 ?
F3 O3 1.448(6) 6 ?
F3 F2 1.631(7) 6 ?
F3 S1 1.899(5) 6 ?
F6 O6 0.995(6) 6_545 ?
F6 S2 1.647(6) 6_545 ?
O1 S1 1.414(3) 6 ?
O2 S1 1.458(3) 6 ?
O3 F3 1.448(6) 6 ?
O4 S2 1.467(3) 6_545 ?
O5 S2 1.527(4) 6_545 ?
O6 F6 0.995(6) 6_545 ?
F2 F2 0.642(12) 6 ?
F2 F3 1.631(7) 6 ?
N3 N4 1.402(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
N1 C2 C3 N2 -0.6(4) . . . . ?
C9 C4 C5 C6 1.2(4) . . . . ?
N2 C4 C5 C6 -177.3(3) . . . . ?
C4 C5 C6 C7 0.7(4) . . . . ?
C5 C6 C7 C8 -1.9(4) . . . . ?
C5 C6 C7 C10 177.7(3) . . . . ?
C6 C7 C8 C9 1.3(4) . . . . ?
C10 C7 C8 C9 -178.3(2) . . . . ?
C7 C8 C9 C4 0.4(4) . . . . ?
C5 C4 C9 C8 -1.8(4) . . . . ?
N2 C4 C9 C8 176.7(2) . . . . ?
C6 C7 C10 N3 5.8(4) . . . . ?
C8 C7 C10 N3 -174.6(3) . . . . ?
C6 C7 C10 C11 -173.1(3) . . . . ?
C8 C7 C10 C11 6.6(4) . . . . ?
N4 C12 C14 C15 -178.5(3) . . . . ?
C13 C12 C14 C15 1.0(4) . . . . ?
N4 C12 C14 C19 1.5(4) . . . . ?
C13 C12 C14 C19 -179.0(3) . . . . ?
C19 C14 C15 C16 1.1(4) . . . . ?
C12 C14 C15 C16 -178.9(3) . . . . ?
C14 C15 C16 C17 -0.4(5) . . . . ?
C15 C16 C17 C18 -1.0(4) . . . . ?
C15 C16 C17 N5 177.6(3) . . . . ?
C16 C17 C18 C19 1.6(4) . . . . ?
N5 C17 C18 C19 -177.0(3) . . . . ?
C17 C18 C19 C14 -0.9(4) . . . . ?
C15 C14 C19 C18 -0.4(4) . . . . ?
C12 C14 C19 C18 179.6(3) . . . . ?
N5 C21 C22 N6 0.7(4) . . . . ?
C31 C25 C26 C27 0.000(2) 5_566 . . . ?
C25 C26 C27 C28 180.000(2) . . . . ?
C25 C26 C27 C32 0.000(1) . . . . ?
C26 C27 C28 C29 180.000(2) . . . . ?
C32 C27 C28 C29 0.000(2) . . . . ?
C27 C28 C29 C30 0.000(2) . . . . ?
C28 C29 C30 C31 0.000(3) . . . . ?
C29 C30 C31 C32 0.000(3) . . . . ?
C29 C30 C31 C25 180.000(3) . . . 5_566 ?
C30 C31 C32 C32 180.000(3) . . . 5_566 ?
C25 C31 C32 C32 0.000(2) 5_566 . . 5_566 ?
C30 C31 C32 C27 0.000(2) . . . . ?
C25 C31 C32 C27 180.000(2) 5_566 . . . ?
C28 C27 C32 C31 0.000(1) . . . . ?
C26 C27 C32 C31 180.000(2) . . . . ?
C28 C27 C32 C32 180.000(2) . . . 5_566 ?
C26 C27 C32 C32 0.000(2) . . . 5_566 ?
F2 C23 S1 S1 -118.8(4) . . . 6 ?
F2 C23 S1 S1 -84.9(4) 6 . . 6 ?
F1 C23 S1 S1 98.66(14) . . . 6 ?
F3 C23 S1 S1 -7.2(3) . . . 6 ?
F3 C23 S1 S1 -172.7(3) 6 . . 6 ?
F2 C23 S1 O1 -179.2(3) . . . . ?
F2 C23 S1 O1 -145.3(4) 6 . . . ?
F1 C23 S1 O1 38.24(16) . . . . ?
F3 C23 S1 O1 -67.6(3) . . . . ?
F3 C23 S1 O1 126.9(3) 6 . . . ?
S1 C23 S1 O1 -60.42(12) 6 . . . ?
F2 C23 S1 O3 66.5(4) . . . . ?
F2 C23 S1 O3 100.4(4) 6 . . . ?
F1 C23 S1 O3 -76.0(2) . . . . ?
F3 C23 S1 O3 178.1(3) . . . . ?
F3 C23 S1 O3 12.7(3) 6 . . . ?
S1 C23 S1 O3 -174.69(17) 6 . . . ?
F2 C23 S1 O2 -55.8(4) . . . . ?
F2 C23 S1 O2 -21.9(4) 6 . . . ?
F1 C23 S1 O2 161.66(12) . . . . ?
F3 C23 S1 O2 55.8(3) . . . . ?
F3 C23 S1 O2 -109.7(3) 6 . . . ?
S1 C23 S1 O2 63.00(12) 6 . . . ?
F2 C23 S1 F3 53.9(4) . . . 6 ?
F2 C23 S1 F3 87.8(5) 6 . . 6 ?
F1 C23 S1 F3 -88.7(3) . . . 6 ?
F3 C23 S1 F3 165.5(6) . . . 6 ?
S1 C23 S1 F3 172.7(3) 6 . . 6 ?
F4 C24 S2 S2 -104.5(3) . . . 6_545 ?
F5 C24 S2 S2 104.5(3) . . . 6_545 ?
F6 C24 S2 S2 175.9(4) 6_545 . . 6_545 ?
F6 C24 S2 S2 3.8(3) . . . 6_545 ?
F4 C24 S2 O6 73.8(3) . . . . ?
F5 C24 S2 O6 -77.2(4) . . . . ?
F6 C24 S2 O6 -5.9(4) 6_545 . . . ?
F6 C24 S2 O6 -178.0(4) . . . . ?
S2 C24 S2 O6 178.3(2) 6_545 . . . ?
F4 C24 S2 O4 -48.8(3) . . . . ?
F5 C24 S2 O4 160.1(2) . . . . ?
F6 C24 S2 O4 -128.5(3) 6_545 . . . ?
F6 C24 S2 O4 59.4(5) . . . . ?
S2 C24 S2 O4 55.65(19) 6_545 . . . ?
F4 C24 S2 O5 -160.8(2) . . . . ?
F5 C24 S2 O5 48.2(3) . . . . ?
F6 C24 S2 O5 119.6(3) 6_545 . . . ?
F6 C24 S2 O5 -52.5(5) . . . . ?
S2 C24 S2 O5 -56.30(19) 6_545 . . . ?
F4 C24 S2 F6 79.7(3) . . . 6_545 ?
F5 C24 S2 F6 -71.4(3) . . . 6_545 ?
F6 C24 S2 F6 -172.1(7) . . . 6_545 ?
S2 C24 S2 F6 -175.9(4) 6_545 . . 6_545 ?
F2 C23 F3 O3 142.2(4) . . . 6 ?
F2 C23 F3 O3 145.3(4) 6 . . 6 ?
F1 C23 F3 O3 -102.5(4) . . . 6 ?
F3 C23 F3 O3 89(2) 6 . . 6 ?
S1 C23 F3 O3 12.9(3) 6 . . 6 ?
S1 C23 F3 O3 17.1(5) . . . 6 ?
F2 C23 F3 F2 -3.12(15) . . . 6 ?
F1 C23 F3 F2 112.2(4) . . . 6 ?
F3 C23 F3 F2 -57(2) 6 . . 6 ?
S1 C23 F3 F2 -132.4(3) 6 . . 6 ?
S1 C23 F3 F2 -128.2(4) . . . 6 ?
F2 C23 F3 S1 129.3(4) . . . 6 ?
F2 C23 F3 S1 132.4(3) 6 . . 6 ?
F1 C23 F3 S1 -115.5(3) . . . 6 ?
F3 C23 F3 S1 76(2) 6 . . 6 ?
S1 C23 F3 S1 4.22(16) . . . 6 ?
F4 C24 F6 O6 113.4(8) . . . 6_545 ?
F5 C24 F6 O6 -136.3(8) . . . 6_545 ?
F6 C24 F6 O6 -39(3) 6_545 . . 6_545 ?
S2 C24 F6 O6 -9.6(7) 6_545 . . 6_545 ?
S2 C24 F6 O6 -12.6(9) . . . 6_545 ?
F4 C24 F6 S2 123.0(5) . . . 6_545 ?
F5 C24 F6 S2 -126.7(5) . . . 6_545 ?
F6 C24 F6 S2 -29(2) 6_545 . . 6_545 ?
S2 C24 F6 S2 -2.9(3) . . . 6_545 ?
O3 S1 O1 S1 167.74(18) . . . 6 ?
O2 S1 O1 S1 -53.82(15) . . . 6 ?
C23 S1 O1 S1 62.97(13) . . . 6 ?
F3 S1 O1 S1 114.3(2) 6 . . 6 ?
S1 S1 O1 Mn1 145.1(4) 6 . . . ?
O3 S1 O1 Mn1 -47.2(4) . . . . ?
O2 S1 O1 Mn1 91.3(3) . . . . ?
C23 S1 O1 Mn1 -151.9(3) . . . . ?
F3 S1 O1 Mn1 -100.6(4) 6 . . . ?
N1 Mn1 O1 S1 -76.2(4) 6 . . 6 ?
N1 Mn1 O1 S1 11.6(4) 5_655 . . 6 ?
N1 Mn1 O1 S1 103.8(4) 2_655 . . 6 ?
N1 Mn1 O1 S1 -168.4(4) . . . 6 ?
O1 Mn1 O1 S1 176(40) 5_655 . . 6 ?
N1 Mn1 O1 S1 168.4(4) 6 . . . ?
N1 Mn1 O1 S1 -103.8(4) 5_655 . . . ?
N1 Mn1 O1 S1 -11.6(4) 2_655 . . . ?
N1 Mn1 O1 S1 76.2(4) . . . . ?
O1 Mn1 O1 S1 60(40) 5_655 . . . ?
O1 S1 O2 S1 53.48(15) . . . 6 ?
O3 S1 O2 S1 -171.74(19) . . . 6 ?
C23 S1 O2 S1 -65.33(13) . . . 6 ?
F3 S1 O2 S1 -116.50(19) 6 . . 6 ?
S1 S1 O3 F3 -39.0(10) 6 . . 6 ?
O1 S1 O3 F3 -125.0(3) . . . 6 ?
O2 S1 O3 F3 98.3(3) . . . 6 ?
C23 S1 O3 F3 -12.6(3) . . . 6 ?
O6 S2 O4 S2 -161.6(3) . . . 6_545 ?
O5 S2 O4 S2 54.59(17) . . . 6_545 ?
C24 S2 O4 S2 -57.3(2) . . . 6_545 ?
F6 S2 O4 S2 -117.8(3) 6_545 . . 6_545 ?
S2 S2 O4 Mn2 -130.3(3) 6_545 . . . ?
O6 S2 O4 Mn2 68.1(5) . . . . ?
O5 S2 O4 Mn2 -75.7(3) . . . . ?
C24 S2 O4 Mn2 172.4(3) . . . . ?
F6 S2 O4 Mn2 111.9(4) 6_545 . . . ?
O4 Mn2 O4 S2 91(100) 5_847 . . . ?
N6 Mn2 O4 S2 -1.5(3) 2_857 . . . ?
N6 Mn2 O4 S2 178.5(3) 6_545 . . . ?
N6 Mn2 O4 S2 -86.7(3) . . . . ?
N6 Mn2 O4 S2 93.3(3) 5_847 . . . ?
O4 Mn2 O4 S2 -1(100) 5_847 . . 6_545 ?
N6 Mn2 O4 S2 -93.3(3) 2_857 . . 6_545 ?
N6 Mn2 O4 S2 86.7(3) 6_545 . . 6_545 ?
N6 Mn2 O4 S2 -178.5(3) . . . 6_545 ?
N6 Mn2 O4 S2 1.5(3) 5_847 . . 6_545 ?
O6 S2 O5 S2 163.3(3) . . . 6_545 ?
O4 S2 O5 S2 -53.98(16) . . . 6_545 ?
C24 S2 O5 S2 57.3(2) . . . 6_545 ?
F6 S2 O5 S2 119.1(3) 6_545 . . 6_545 ?
S2 S2 O6 F6 13.7(12) 6_545 . . 6_545 ?
O4 S2 O6 F6 118.5(5) . . . 6_545 ?
O5 S2 O6 F6 -103.7(6) . . . 6_545 ?
C24 S2 O6 F6 8.3(6) . . . 6_545 ?
F1 C23 F2 F2 -96.45(18) . . . 6 ?
F3 C23 F2 F2 6.0(3) . . . 6 ?
F3 C23 F2 F2 173.7(3) 6 . . 6 ?
S1 C23 F2 F2 80.1(3) 6 . . 6 ?
S1 C23 F2 F2 119.9(3) . . . 6 ?
F2 C23 F2 F3 -173.7(3) 6 . . 6 ?
F1 C23 F2 F3 89.8(3) . . . 6 ?
F3 C23 F2 F3 -167.7(5) . . . 6 ?
S1 C23 F2 F3 -93.6(4) 6 . . 6 ?
S1 C23 F2 F3 -53.8(3) . . . 6 ?
N2 C1 N1 C2 0.0(3) . . . . ?
N2 C1 N1 Mn1 -177.63(18) . . . . ?
C3 C2 N1 C1 0.4(4) . . . . ?
C3 C2 N1 Mn1 177.9(2) . . . . ?
N1 Mn1 N1 C1 -72.8(2) 6 . . . ?
N1 Mn1 N1 C1 163(100) 5_655 . . . ?
N1 Mn1 N1 C1 107.2(2) 2_655 . . . ?
O1 Mn1 N1 C1 -165.4(2) 5_655 . . . ?
O1 Mn1 N1 C1 14.6(2) . . . . ?
N1 Mn1 N1 C2 110.2(2) 6 . . . ?
N1 Mn1 N1 C2 -14(100) 5_655 . . . ?
N1 Mn1 N1 C2 -69.8(2) 2_655 . . . ?
O1 Mn1 N1 C2 17.6(3) 5_655 . . . ?
O1 Mn1 N1 C2 -162.4(3) . . . . ?
N1 C1 N2 C3 -0.3(3) . . . . ?
N1 C1 N2 C4 179.4(2) . . . . ?
C2 C3 N2 C1 0.5(4) . . . . ?
C2 C3 N2 C4 -179.2(3) . . . . ?
C5 C4 N2 C1 42.1(4) . . . . ?
C9 C4 N2 C1 -136.4(3) . . . . ?
C5 C4 N2 C3 -138.3(3) . . . . ?
C9 C4 N2 C3 43.2(4) . . . . ?
C7 C10 N3 N4 178.4(2) . . . . ?
C11 C10 N3 N4 -2.8(4) . . . . ?
C14 C12 N4 N3 178.2(2) . . . . ?
C13 C12 N4 N3 -1.2(4) . . . . ?
C10 N3 N4 C12 171.4(2) . . . . ?
N6 C20 N5 C21 0.4(3) . . . . ?
N6 C20 N5 C17 176.9(2) . . . . ?
C22 C21 N5 C20 -0.7(3) . . . . ?
C22 C21 N5 C17 -177.0(3) . . . . ?
C16 C17 N5 C20 -147.7(3) . . . . ?
C18 C17 N5 C20 30.9(4) . . . . ?
C16 C17 N5 C21 28.0(4) . . . . ?
C18 C17 N5 C21 -153.4(3) . . . . ?
N5 C20 N6 C22 0.1(3) . . . . ?
N5 C20 N6 Mn2 -165.57(19) . . . . ?
C21 C22 N6 C20 -0.5(4) . . . . ?
C21 C22 N6 Mn2 165.4(2) . . . . ?
O4 Mn2 N6 C20 22.4(3) 5_847 . . . ?
O4 Mn2 N6 C20 -157.6(3) . . . . ?
N6 Mn2 N6 C20 111.5(3) 2_857 . . . ?
N6 Mn2 N6 C20 -68.5(3) 6_545 . . . ?
N6 Mn2 N6 C20 142(100) 5_847 . . . ?
O4 Mn2 N6 C22 -140.4(3) 5_847 . . . ?
O4 Mn2 N6 C22 39.6(3) . . . . ?
N6 Mn2 N6 C22 -51.2(2) 2_857 . . . ?
N6 Mn2 N6 C22 128.8(2) 6_545 . . . ?
N6 Mn2 N6 C22 -20(100) 5_847 . . . ?
