#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:59:43 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179874 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/70/7017049.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_7017049
loop_
_publ_author_name
'Wang, Yan-Qin'
'Sun, Qian'
'Yue, Qi'
'Cheng, Ai-Ling'
'Song, You'
'Gao, En-Qing'
_publ_section_title
;
 Manganese(ii)-carboxylate-pseudohalide systems derived from
 1,4-bis(4-carboxylatopyridinium-1-methylene)benzene: structures and
 magnetism.
;
_journal_issue                   41
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10966
_journal_page_last               10974
_journal_paper_doi               10.1039/c1dt10977d
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C21 H24 Mn2 N14 O7'
_chemical_formula_weight         694.42
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                117.7680(10)
_cell_angle_beta                 93.6470(10)
_cell_angle_gamma                104.5730(10)
_cell_formula_units_Z            2
_cell_length_a                   9.7321(2)
_cell_length_b                   12.8829(3)
_cell_length_c                   13.4251(3)
_cell_measurement_reflns_used    7396
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.04
_cell_measurement_theta_min      2.41
_cell_volume                     1408.95(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0237
_diffrn_reflns_av_sigmaI/netI    0.0255
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            18238
_diffrn_reflns_theta_full        26.51
_diffrn_reflns_theta_max         26.51
_diffrn_reflns_theta_min         1.75
_diffrn_standards_decay_%        2.5
_exptl_absorpt_coefficient_mu    0.965
_exptl_absorpt_correction_T_max  0.9810
_exptl_absorpt_correction_T_min  0.9268
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.637
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             708
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.359
_refine_diff_density_min         -0.305
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.921
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     425
_refine_ls_number_reflns         5733
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.921
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0319
_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)+(0.0443P)²+1.3514P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0802
_refine_ls_wR_factor_ref         0.0884
_reflns_number_gt                4756
_reflns_number_total             5733
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10977d.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1408.95(5)
_cod_original_sg_symbol_H-M      'P-1 '
_cod_database_code               7017049
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
Mn1 Mn 0.07590(3) 0.16051(3) 0.07926(3) 0.02952(10) Uani 1 1 d .
Mn2 Mn 0.41108(3) 0.35212(3) 0.13069(3) 0.03049(10) Uani 1 1 d .
C1 C 0.1232(2) 0.41615(19) 0.10165(18) 0.0290(4) Uani 1 1 d .
C2 C 0.0670(2) 0.52612(19) 0.13806(17) 0.0271(4) Uani 1 1 d .
C3 C -0.0796(2) 0.5119(2) 0.12649(18) 0.0298(5) Uani 1 1 d .
H3A H -0.1475 0.4334 0.0940 0.036 Uiso 1 1 calc R
C4 C -0.1248(2) 0.6145(2) 0.16334(19) 0.0308(5) Uani 1 1 d .
H4A H -0.2235 0.6049 0.1549 0.037 Uiso 1 1 calc R
C5 C 0.1163(3) 0.7440(2) 0.2232(2) 0.0391(5) Uani 1 1 d .
H5A H 0.1823 0.8234 0.2566 0.047 Uiso 1 1 calc R
C6 C 0.1656(2) 0.6444(2) 0.1866(2) 0.0356(5) Uani 1 1 d .
H6A H 0.2647 0.6559 0.1941 0.043 Uiso 1 1 calc R
C7 C -0.0775(3) 0.8395(2) 0.2510(2) 0.0368(5) Uani 1 1 d .
H7A H -0.1822 0.8126 0.2262 0.044 Uiso 1 1 calc R
H7B H -0.0347 0.8865 0.2152 0.044 Uiso 1 1 calc R
C8 C -0.0362(2) 0.9222(2) 0.3804(2) 0.0341(5) Uani 1 1 d .
C9 C -0.1204(3) 0.8960(2) 0.4495(2) 0.0441(6) Uani 1 1 d .
H9A H -0.202(4) 0.823(3) 0.417(3) 0.064(9) Uiso 1 1 d .
C10 C 0.0847(3) 1.0277(2) 0.4318(2) 0.0441(6) Uani 1 1 d .
H10A H 0.147(3) 1.045(3) 0.389(2) 0.048(8) Uiso 1 1 d .
C11 C -0.1312(2) 0.4987(2) 0.35609(19) 0.0346(5) Uani 1 1 d .
C12 C 0.0235(2) 0.5792(2) 0.42074(18) 0.0290(4) Uani 1 1 d .
C13 C 0.0474(3) 0.7032(2) 0.4985(2) 0.0371(5) Uani 1 1 d .
H13A H -0.0307 0.7334 0.5139 0.044 Uiso 1 1 calc R
C14 C 0.1857(3) 0.7809(2) 0.5525(2) 0.0401(6) Uani 1 1 d .
H14A H 0.2015 0.8640 0.6043 0.048 Uiso 1 1 calc R
C15 C 0.2798(3) 0.6189(2) 0.4581(2) 0.0393(5) Uani 1 1 d .
H15A H 0.3596 0.5908 0.4446 0.047 Uiso 1 1 calc R
C16 C 0.1417(3) 0.5373(2) 0.4022(2) 0.0362(5) Uani 1 1 d .
H16A H 0.1283 0.4541 0.3520 0.043 Uiso 1 1 calc R
C17 C 0.4486(3) 0.8301(2) 0.5891(2) 0.0444(6) Uani 1 1 d .
H17A H 0.5204 0.7874 0.5741 0.053 Uiso 1 1 calc R
H17B H 0.4561 0.8752 0.6717 0.053 Uiso 1 1 calc R
C18 C 0.4775(2) 0.9194(2) 0.5436(2) 0.0365(5) Uani 1 1 d .
C19 C 0.4857(3) 1.0419(2) 0.6131(2) 0.0434(6) Uani 1 1 d .
H19A H 0.475(3) 1.069(3) 0.689(3) 0.053(8) Uiso 1 1 d .
C20 C 0.4923(3) 0.8790(2) 0.4309(2) 0.0432(6) Uani 1 1 d .
H20A H 0.493(3) 0.799(3) 0.386(2) 0.043(7) Uiso 1 1 d .
C21 C 0.5823(5) 0.1639(3) 0.0867(4) 0.114(2) Uani 1 1 d .
H21A H 0.6546 0.1425 0.1184 0.170 Uiso 1 1 calc R
H21B H 0.6111 0.1743 0.0240 0.170 Uiso 1 1 calc R
H21C H 0.4909 0.0991 0.0593 0.170 Uiso 1 1 calc R
N1 N 0.0907(2) -0.01370(17) 0.07459(18) 0.0401(5) Uani 1 1 d .
N2 N 0.1861(2) -0.01808(17) 0.13072(18) 0.0376(5) Uani 1 1 d .
N3 N 0.2769(3) -0.0224(3) 0.1862(3) 0.0704(8) Uani 1 1 d .
N4 N 0.2582(2) 0.17205(18) -0.01604(17) 0.0372(4) Uani 1 1 d .
N5 N 0.2703(2) 0.09332(16) -0.10331(16) 0.0305(4) Uani 1 1 d .
N6 N 0.2794(3) 0.01611(19) -0.19030(19) 0.0483(5) Uani 1 1 d .
N7 N 0.2636(2) 0.28889(19) 0.22422(17) 0.0388(5) Uani 1 1 d .
N8 N 0.2868(3) 0.2957(2) 0.3149(2) 0.0541(6) Uani 1 1 d .
N9 N 0.3064(5) 0.3028(5) 0.4029(3) 0.1253(18) Uani 1 1 d .
N10 N 0.5401(2) 0.3830(2) 0.0139(2) 0.0470(5) Uani 1 1 d .
N11 N 0.4929(2) 0.34754(17) -0.08323(19) 0.0371(5) Uani 1 1 d .
N12 N 0.4476(3) 0.3121(2) -0.1802(2) 0.0470(5) Uani 1 1 d .
N13 N -0.0278(2) 0.72804(16) 0.21130(15) 0.0304(4) Uani 1 1 d .
N14 N 0.2996(2) 0.73806(17) 0.53145(16) 0.0343(4) Uani 1 1 d .
O1 O -0.0569(2) 0.19157(19) 0.20798(18) 0.0494(5) Uani 1 1 d .
H1W1 H -0.085(4) 0.256(4) 0.234(3) 0.074(11) Uiso 1 1 d .
H1W2 H -0.120(4) 0.134(4) 0.210(3) 0.078(12) Uiso 1 1 d .
O2 O 0.51702(18) 0.53444(15) 0.28003(15) 0.0404(4) Uani 1 1 d .
H2W2 H 0.5819 0.5304 0.3023 0.061 Uiso 1 1 d R
H2W1 H 0.532(4) 0.590(3) 0.255(3) 0.071(11) Uiso 1 1 d .
O3 O 0.5681(2) 0.27510(16) 0.17239(18) 0.0555(5) Uani 1 1 d .
H3B H 0.6476 0.3105 0.2071 0.083 Uiso 1 1 d R
O4 O 0.03117(17) 0.31406(14) 0.07076(15) 0.0391(4) Uani 1 1 d .
O5 O 0.25666(17) 0.44007(15) 0.10780(16) 0.0394(4) Uani 1 1 d .
O6 O -0.15913(19) 0.38400(16) 0.30555(16) 0.0490(5) Uani 1 1 d .
O7 O -0.2162(2) 0.55609(18) 0.35869(18) 0.0600(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'
Mn Mn 0.3368 0.7283 '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'
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
O1 Mn1 O4 86.23(8) . .
O1 Mn1 N1 99.20(8) . 2
O4 Mn1 N1 95.56(7) . 2
O1 Mn1 N7 86.63(8) . .
O4 Mn1 N7 91.33(7) . .
N1 Mn1 N7 171.24(8) 2 .
O1 Mn1 N1 91.64(8) . .
O4 Mn1 N1 172.18(7) . .
N1 Mn1 N1 77.34(8) 2 .
N7 Mn1 N1 96.06(7) . .
O1 Mn1 N4 165.00(7) . .
O4 Mn1 N4 90.40(7) . .
N1 Mn1 N4 95.67(8) 2 .
N7 Mn1 N4 78.84(7) . .
N1 Mn1 N4 93.53(8) . .
O2 Mn2 O5 82.98(6) . .
O2 Mn2 N10 95.72(8) . .
O5 Mn2 N10 94.86(8) . .
O2 Mn2 O3 92.35(7) . .
O5 Mn2 O3 174.23(7) . .
N10 Mn2 O3 88.96(9) . .
O2 Mn2 N7 93.92(7) . .
O5 Mn2 N7 86.89(7) . .
N10 Mn2 N7 170.35(8) . .
O3 Mn2 N7 90.06(8) . .
O2 Mn2 N4 168.11(7) . .
O5 Mn2 N4 87.10(7) . .
N10 Mn2 N4 91.63(8) . .
O3 Mn2 N4 97.13(7) . .
N7 Mn2 N4 78.96(7) . .
O5 C1 O4 127.9(2) . .
O5 C1 C2 115.48(19) . .
O4 C1 C2 116.58(19) . .
C3 C2 C6 118.8(2) . .
C3 C2 C1 121.86(19) . .
C6 C2 C1 119.33(19) . .
C4 C3 C2 119.6(2) . .
C4 C3 H3A 120.2 . .
C2 C3 H3A 120.2 . .
N13 C4 C3 120.6(2) . .
N13 C4 H4A 119.7 . .
C3 C4 H4A 119.7 . .
N13 C5 C6 120.5(2) . .
N13 C5 H5A 119.7 . .
C6 C5 H5A 119.7 . .
C5 C6 C2 119.7(2) . .
C5 C6 H6A 120.1 . .
C2 C6 H6A 120.1 . .
N13 C7 C8 112.28(18) . .
N13 C7 H7A 109.1 . .
C8 C7 H7A 109.1 . .
N13 C7 H7B 109.1 . .
C8 C7 H7B 109.1 . .
H7A C7 H7B 107.9 . .
C9 C8 C10 118.6(2) . .
C9 C8 C7 120.5(2) . .
C10 C8 C7 120.9(2) . .
C8 C9 C10 121.0(2) . 2_576
C8 C9 H9A 120.9(19) . .
C10 C9 H9A 118.0(19) 2_576 .
C8 C10 C9 120.4(3) . 2_576
C8 C10 H10A 121.3(18) . .
C9 C10 H10A 118.1(18) 2_576 .
O7 C11 O6 127.0(2) . .
O7 C11 C12 114.9(2) . .
O6 C11 C12 118.1(2) . .
C16 C12 C13 118.4(2) . .
C16 C12 C11 123.6(2) . .
C13 C12 C11 117.9(2) . .
C14 C13 C12 119.9(2) . .
C14 C13 H13A 120.1 . .
C12 C13 H13A 120.1 . .
N14 C14 C13 120.6(2) . .
N14 C14 H14A 119.7 . .
C13 C14 H14A 119.7 . .
N14 C15 C16 120.4(2) . .
N14 C15 H15A 119.8 . .
C16 C15 H15A 119.8 . .
C12 C16 C15 119.9(2) . .
C12 C16 H16A 120.1 . .
C15 C16 H16A 120.1 . .
N14 C17 C18 109.65(19) . .
N14 C17 H17A 109.7 . .
C18 C17 H17A 109.7 . .
N14 C17 H17B 109.7 . .
C18 C17 H17B 109.7 . .
H17A C17 H17B 108.2 . .
C20 C18 C19 119.0(2) . .
C20 C18 C17 120.3(2) . .
C19 C18 C17 120.7(2) . .
C20 C19 C18 119.8(2) 2_676 .
C20 C19 H19A 121.0(18) 2_676 .
C18 C19 H19A 119.2(18) . .
C19 C20 C18 121.1(2) 2_676 .
C19 C20 H20A 119.8(17) 2_676 .
C18 C20 H20A 119.0(17) . .
O3 C21 H21A 109.5 . .
O3 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
O3 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
N2 N1 Mn1 131.27(16) . 2
N2 N1 Mn1 124.62(15) . .
Mn1 N1 Mn1 102.66(8) 2 .
N3 N2 N1 178.9(3) . .
N5 N4 Mn2 135.02(16) . .
N5 N4 Mn1 127.47(16) . .
Mn2 N4 Mn1 95.80(7) . .
N6 N5 N4 178.4(2) . .
N8 N7 Mn1 127.92(19) . .
N8 N7 Mn2 130.99(19) . .
Mn1 N7 Mn2 98.83(8) . .
N9 N8 N7 178.5(3) . .
N11 N10 Mn2 124.14(17) . .
N12 N11 N10 179.1(3) . .
C4 N13 C5 120.66(19) . .
C4 N13 C7 120.46(19) . .
C5 N13 C7 118.87(19) . .
C15 N14 C14 120.9(2) . .
C15 N14 C17 121.6(2) . .
C14 N14 C17 117.5(2) . .
Mn1 O1 H1W1 120(2) . .
Mn1 O1 H1W2 124(3) . .
H1W1 O1 H1W2 109(3) . .
Mn2 O2 H2W2 104.7 . .
Mn2 O2 H2W1 107(2) . .
H2W2 O2 H2W1 113.2 . .
C21 O3 Mn2 119.58(18) . .
C21 O3 H3B 101.2 . .
Mn2 O3 H3B 127.3 . .
C1 O4 Mn1 125.22(14) . .
C1 O5 Mn2 132.88(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O1 2.172(2) .
Mn1 O4 2.1802(16) .
Mn1 N1 2.2053(19) 2
Mn1 N7 2.2108(19) .
Mn1 N1 2.2572(19) .
Mn1 N4 2.267(2) .
Mn2 O2 2.1748(16) .
Mn2 O5 2.1816(15) .
Mn2 N10 2.185(2) .
Mn2 O3 2.1921(18) .
Mn2 N7 2.212(2) .
Mn2 N4 2.2600(19) .
C1 O5 1.245(3) .
C1 O4 1.247(3) .
C1 C2 1.525(3) .
C2 C3 1.381(3) .
C2 C6 1.388(3) .
C3 C4 1.377(3) .
C3 H3A 0.9300 .
C4 N13 1.340(3) .
C4 H4A 0.9300 .
C5 N13 1.353(3) .
C5 C6 1.367(3) .
C5 H5A 0.9300 .
C6 H6A 0.9300 .
C7 N13 1.499(3) .
C7 C8 1.512(3) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 C9 1.375(4) .
C8 C10 1.387(3) .
C9 C10 1.388(4) 2_576
C9 H9A 0.95(3) .
C10 C9 1.388(4) 2_576
C10 H10A 0.92(3) .
C11 O7 1.232(3) .
C11 O6 1.249(3) .
C11 C12 1.518(3) .
C12 C16 1.379(3) .
C12 C13 1.387(3) .
C13 C14 1.363(3) .
C13 H13A 0.9300 .
C14 N14 1.348(3) .
C14 H14A 0.9300 .
C15 N14 1.335(3) .
C15 C16 1.378(3) .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
C17 N14 1.498(3) .
C17 C18 1.512(4) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 C20 1.383(4) .
C18 C19 1.386(4) .
C19 C20 1.379(4) 2_676
C19 H19A 0.94(3) .
C20 C19 1.379(4) 2_676
C20 H20A 0.92(3) .
C21 O3 1.407(4) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
N1 N2 1.187(3) .
N1 Mn1 2.2053(19) 2
N2 N3 1.148(3) .
N4 N5 1.177(3) .
N5 N6 1.156(3) .
N7 N8 1.182(3) .
N8 N9 1.141(4) .
N10 N11 1.176(3) .
N11 N12 1.170(3) .
O1 H1W1 0.86(4) .
O1 H1W2 0.84(4) .
O2 H2W2 0.7059 .
O2 H2W1 0.91(4) .
O3 H3B 0.7758 .
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
O5 C1 C2 C3 174.4(2) . .
O4 C1 C2 C3 -6.4(3) . .
O5 C1 C2 C6 -7.0(3) . .
O4 C1 C2 C6 172.2(2) . .
C6 C2 C3 C4 -0.2(3) . .
C1 C2 C3 C4 178.4(2) . .
C2 C3 C4 N13 -0.7(3) . .
N13 C5 C6 C2 -0.8(4) . .
C3 C2 C6 C5 0.9(3) . .
C1 C2 C6 C5 -177.7(2) . .
N13 C7 C8 C9 -82.4(3) . .
N13 C7 C8 C10 99.3(3) . .
C10 C8 C9 C10 -0.7(4) . 2_576
C7 C8 C9 C10 -179.0(2) . 2_576
C9 C8 C10 C9 0.7(4) . 2_576
C7 C8 C10 C9 179.0(2) . 2_576
O7 C11 C12 C16 -160.6(2) . .
O6 C11 C12 C16 18.5(3) . .
O7 C11 C12 C13 16.0(3) . .
O6 C11 C12 C13 -164.8(2) . .
C16 C12 C13 C14 1.4(4) . .
C11 C12 C13 C14 -175.4(2) . .
C12 C13 C14 N14 -0.4(4) . .
C13 C12 C16 C15 -1.7(3) . .
C11 C12 C16 C15 174.9(2) . .
N14 C15 C16 C12 0.9(4) . .
N14 C17 C18 C20 -68.1(3) . .
N14 C17 C18 C19 110.1(3) . .
C20 C18 C19 C20 0.3(4) . 2_676
C17 C18 C19 C20 -178.0(2) . 2_676
C19 C18 C20 C19 -0.3(4) . 2_676
C17 C18 C20 C19 178.0(2) . 2_676
O1 Mn1 N1 N2 -93.4(2) . .
O4 Mn1 N1 N2 -167.4(5) . .
N1 Mn1 N1 N2 167.5(3) 2 .
N7 Mn1 N1 N2 -6.6(2) . .
N4 Mn1 N1 N2 72.5(2) . .
O1 Mn1 N1 Mn1 99.06(9) . 2
O4 Mn1 N1 Mn1 25.1(6) . 2
N1 Mn1 N1 Mn1 0.0 2 2
N7 Mn1 N1 Mn1 -174.16(9) . 2
N4 Mn1 N1 Mn1 -95.03(9) . 2
Mn1 N1 N2 N3 -95(13) 2 .
Mn1 N1 N2 N3 101(13) . .
O2 Mn2 N4 N5 161.3(3) . .
O5 Mn2 N4 N5 127.8(2) . .
N10 Mn2 N4 N5 33.0(2) . .
O3 Mn2 N4 N5 -56.1(3) . .
N7 Mn2 N4 N5 -144.8(3) . .
O2 Mn2 N4 Mn1 -33.5(4) . .
O5 Mn2 N4 Mn1 -67.00(8) . .
N10 Mn2 N4 Mn1 -161.79(9) . .
O3 Mn2 N4 Mn1 109.06(8) . .
N7 Mn2 N4 Mn1 20.39(8) . .
O1 Mn1 N4 N5 160.9(3) . .
O4 Mn1 N4 N5 -122.3(2) . .
N1 Mn1 N4 N5 -26.7(2) 2 .
N7 Mn1 N4 N5 146.4(2) . .
N1 Mn1 N4 N5 50.9(2) . .
O1 Mn1 N4 Mn2 -6.0(3) . .
O4 Mn1 N4 Mn2 70.86(7) . .
N1 Mn1 N4 Mn2 166.49(8) 2 .
N7 Mn1 N4 Mn2 -20.42(8) . .
N1 Mn1 N4 Mn2 -115.90(8) . .
Mn2 N4 N5 N6 -132(9) . .
Mn1 N4 N5 N6 67(9) . .
O1 Mn1 N7 N8 40.5(2) . .
O4 Mn1 N7 N8 126.6(2) . .
N1 Mn1 N7 N8 -91.5(6) 2 .
N1 Mn1 N7 N8 -50.8(2) . .
N4 Mn1 N7 N8 -143.2(2) . .
O1 Mn1 N7 Mn2 -155.27(9) . .
O4 Mn1 N7 Mn2 -69.12(8) . .
N1 Mn1 N7 Mn2 72.8(5) 2 .
N1 Mn1 N7 Mn2 113.44(9) . .
N4 Mn1 N7 Mn2 21.03(8) . .
O2 Mn2 N7 N8 -47.2(2) . .
O5 Mn2 N7 N8 -129.9(2) . .
N10 Mn2 N7 N8 129.3(5) . .
O3 Mn2 N7 N8 45.2(2) . .
N4 Mn2 N7 N8 142.5(3) . .
O2 Mn2 N7 Mn1 149.30(8) . .
O5 Mn2 N7 Mn1 66.56(8) . .
N10 Mn2 N7 Mn1 -34.2(5) . .
O3 Mn2 N7 Mn1 -118.34(8) . .
N4 Mn2 N7 Mn1 -21.09(8) . .
Mn1 N7 N8 N9 -58(16) . .
Mn2 N7 N8 N9 143(16) . .
O2 Mn2 N10 N11 -140.7(2) . .
O5 Mn2 N10 N11 -57.3(2) . .
O3 Mn2 N10 N11 127.1(2) . .
N7 Mn2 N10 N11 42.8(6) . .
N4 Mn2 N10 N11 30.0(2) . .
Mn2 N10 N11 N12 -146(17) . .
C3 C4 N13 C5 0.8(3) . .
C3 C4 N13 C7 179.8(2) . .
C6 C5 N13 C4 0.0(4) . .
C6 C5 N13 C7 -179.1(2) . .
C8 C7 N13 C4 113.4(2) . .
C8 C7 N13 C5 -67.5(3) . .
C16 C15 N14 C14 0.2(4) . .
C16 C15 N14 C17 -176.9(2) . .
C13 C14 N14 C15 -0.4(4) . .
C13 C14 N14 C17 176.8(2) . .
C18 C17 N14 C15 111.7(3) . .
C18 C17 N14 C14 -65.5(3) . .
O2 Mn2 O3 C21 -161.6(3) . .
O5 Mn2 O3 C21 162.5(7) . .
N10 Mn2 O3 C21 -65.9(3) . .
N7 Mn2 O3 C21 104.5(3) . .
N4 Mn2 O3 C21 25.6(3) . .
O5 C1 O4 Mn1 24.7(3) . .
C2 C1 O4 Mn1 -154.36(14) . .
O1 Mn1 O4 C1 113.50(19) . .
N1 Mn1 O4 C1 -147.61(19) 2 .
N7 Mn1 O4 C1 26.97(19) . .
N1 Mn1 O4 C1 -172.1(5) . .
N4 Mn1 O4 C1 -51.87(19) . .
O4 C1 O5 Mn2 -25.2(4) . .
C2 C1 O5 Mn2 153.93(15) . .
O2 Mn2 O5 C1 -122.5(2) . .
N10 Mn2 O5 C1 142.4(2) . .
O3 Mn2 O5 C1 -86.3(7) . .
N7 Mn2 O5 C1 -28.1(2) . .
N4 Mn2 O5 C1 51.0(2) . .
