#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:31:29 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180398 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/67/7206747.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_7206747
loop_
_publ_author_name
'Meng, Miao'
'Zhong, Di-Chang'
'Lu, Tong-Bu'
_publ_section_title
;
 Three porous metal--organic frameworks based on an
 azobenzenetricarboxylate ligand: synthesis, structures, and magnetic
 properties
;
_journal_issue                   22
_journal_name_full               CrystEngComm
_journal_page_first              6794
_journal_paper_doi               10.1039/c1ce05817g
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C60 H82 Mn6 N8 O51'
_chemical_formula_weight         2060.94
_chemical_name_systematic
;
?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 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                 106.844(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   30.3206(18)
_cell_length_b                   7.2470(3)
_cell_length_c                   19.3370(9)
_cell_measurement_reflns_used    1102
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.02
_cell_volume                     4066.7(4)
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_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  0.0492
_diffrn_reflns_av_sigmaI/netI    0.0840
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            11738
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.02
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.058
_exptl_absorpt_correction_T_max  0.8835
_exptl_absorpt_correction_T_min  0.8324
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Higashi,T.(1995).
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.639
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2714
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.798
_refine_diff_density_min         -0.720
_refine_diff_density_rms         0.120
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.02(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     586
_refine_ls_number_reflns         7504
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0800
_refine_ls_R_factor_gt           0.0519
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1083P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1312
_refine_ls_wR_factor_ref         0.1813
_reflns_number_gt                5877
_reflns_number_total             7504
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05817g.txt
_cod_data_source_block           1
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        4066.7(3)
_cod_original_sg_symbol_H-M      Cc
_cod_database_code               7206747
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
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 0.82317(4) 0.66192(13) 0.91008(5) 0.0176(2) Uani 1 1 d .
Mn2 Mn 0.70797(4) 0.57859(14) 0.95095(5) 0.0186(2) Uani 1 1 d .
Mn3 Mn 0.71546(4) 1.11527(14) 0.76928(5) 0.0179(2) Uani 1 1 d .
C1 C 0.8040(3) 0.3641(9) 0.7839(4) 0.0217(15) Uani 1 1 d .
C2 C 0.8265(3) 0.2792(9) 0.7303(4) 0.0179(14) Uani 1 1 d .
C3 C 0.8734(2) 0.2390(9) 0.7507(4) 0.0185(14) Uani 1 1 d .
H3 H 0.8917 0.2602 0.7977 0.022 Uiso 1 1 calc R
C4 C 0.8926(3) 0.1651(10) 0.6980(4) 0.0243(16) Uani 1 1 d .
C5 C 0.8670(2) 0.1447(10) 0.6286(4) 0.0181(14) Uani 1 1 d .
H5 H 0.8807 0.1042 0.5942 0.022 Uiso 1 1 calc R
C6 C 0.8196(3) 0.1841(9) 0.6081(4) 0.0177(14) Uani 1 1 d .
C7 C 0.7918(3) 0.1634(9) 0.5308(4) 0.0192(14) Uani 1 1 d .
C8 C 0.7993(2) 0.2478(8) 0.6590(3) 0.0142(12) Uani 1 1 d .
H8 H 0.7678 0.2698 0.6460 0.017 Uiso 1 1 calc R
C9 C 1.0096(2) 0.0306(9) 0.7847(4) 0.0195(14) Uani 1 1 d .
C10 C 1.0363(3) 0.0008(12) 0.8539(4) 0.0297(17) Uani 1 1 d .
H10 H 1.0244 0.0200 0.8925 0.036 Uiso 1 1 calc R
C11 C 1.0814(3) -0.0584(11) 0.8660(5) 0.0302(17) Uani 1 1 d .
H11 H 1.0993 -0.0836 0.9129 0.036 Uiso 1 1 calc R
C12 C 1.1001(3) -0.0805(10) 0.8091(4) 0.0242(16) Uani 1 1 d .
C13 C 1.1494(3) -0.1475(9) 0.8242(4) 0.0227(15) Uani 1 1 d .
C14 C 1.0725(3) -0.0523(10) 0.7383(4) 0.0248(15) Uani 1 1 d .
H14 H 1.0847 -0.0726 0.6999 0.030 Uiso 1 1 calc R
C15 C 1.0270(3) 0.0059(11) 0.7244(4) 0.0257(16) Uani 1 1 d .
H15 H 1.0087 0.0279 0.6775 0.031 Uiso 1 1 calc R
C16 C 0.6513(2) 0.8508(9) 0.8315(4) 0.0212(15) Uani 1 1 d .
C17 C 0.6034(2) 0.9195(9) 0.7978(4) 0.0186(14) Uani 1 1 d .
C18 C 0.5865(3) 0.9497(10) 0.7226(4) 0.0229(15) Uani 1 1 d .
H18 H 0.6059 0.9328 0.6938 0.027 Uiso 1 1 calc R
C19 C 0.5418(3) 1.0035(10) 0.6916(4) 0.0260(16) Uani 1 1 d .
H19 H 0.5311 1.0215 0.6419 0.031 Uiso 1 1 calc R
C20 C 0.5121(3) 1.0314(9) 0.7342(4) 0.0195(14) Uani 1 1 d .
C21 C 0.5281(2) 1.0017(10) 0.8093(4) 0.0216(14) Uani 1 1 d .
H21 H 0.5085 1.0196 0.8379 0.026 Uiso 1 1 calc R
C22 C 0.5735(3) 0.9451(11) 0.8407(4) 0.0255(16) Uani 1 1 d .
H22 H 0.5841 0.9242 0.8902 0.031 Uiso 1 1 calc R
C23 C 0.3958(3) 1.1644(9) 0.7053(4) 0.0197(14) Uani 1 1 d .
C24 C 0.3724(2) 1.1235(9) 0.6320(4) 0.0169(13) Uani 1 1 d .
H24 H 0.3883 1.0705 0.6026 0.020 Uiso 1 1 calc R
C25 C 0.3248(2) 1.1635(9) 0.6038(4) 0.0172(14) Uani 1 1 d .
C26 C 0.3000(3) 1.0995(9) 0.5306(4) 0.0215(15) Uani 1 1 d .
C27 C 0.3016(2) 1.2447(10) 0.6478(4) 0.0186(14) Uani 1 1 d .
H27 H 0.2705 1.2723 0.6291 0.022 Uiso 1 1 calc R
C28 C 0.3242(2) 1.2854(9) 0.7196(4) 0.0168(13) Uani 1 1 d .
C29 C 0.2986(3) 1.3704(8) 0.7678(3) 0.0162(14) Uani 1 1 d .
C30 C 0.3709(2) 1.2433(9) 0.7487(3) 0.0164(13) Uani 1 1 d .
H30 H 0.3856 1.2677 0.7972 0.020 Uiso 1 1 calc R
N1 N 0.9403(2) 0.1202(8) 0.7114(3) 0.0211(12) Uani 1 1 d .
N2 N 0.9619(2) 0.0835(8) 0.7749(3) 0.0220(13) Uani 1 1 d .
N3 N 0.4661(2) 1.0863(8) 0.6983(4) 0.0251(13) Uani 1 1 d .
N4 N 0.4422(2) 1.1222(8) 0.7389(3) 0.0210(12) Uani 1 1 d .
O1 O 0.83087(18) 0.4336(7) 0.8408(3) 0.0206(10) Uani 1 1 d .
O2 O 0.76083(18) 0.3628(6) 0.7680(3) 0.0197(10) Uani 1 1 d .
O3 O 0.74939(18) 0.2037(7) 0.5138(3) 0.0218(10) Uani 1 1 d .
O4 O 0.81157(18) 0.1127(6) 0.4836(2) 0.0176(10) Uani 1 1 d .
O5 O 1.16234(19) -0.1921(8) 0.7692(3) 0.0300(12) Uani 1 1 d .
O6 O 1.17380(18) -0.1540(7) 0.8873(2) 0.0214(11) Uani 1 1 d .
O7 O 0.65936(18) 0.7772(7) 0.8928(3) 0.0241(11) Uani 1 1 d .
O8 O 0.68054(17) 0.8618(7) 0.7960(3) 0.0213(11) Uani 1 1 d .
O9 O 0.32291(19) 1.0217(7) 0.4936(3) 0.0253(11) Uani 1 1 d .
O10 O 0.25682(19) 1.1229(7) 0.5086(3) 0.0235(11) Uani 1 1 d .
O11 O 0.25803(19) 1.4246(7) 0.7369(3) 0.0255(11) Uani 1 1 d .
O12 O 0.31799(19) 1.3780(6) 0.8351(3) 0.0201(11) Uani 1 1 d .
O13 O 0.74517(18) 0.6193(6) 0.8626(3) 0.0189(10) Uani 1 1 d .
O14 O 0.8974(2) 0.6845(8) 0.9531(3) 0.0319(13) Uani 1 1 d .
O15 O 0.66862(19) 0.5508(8) 1.0276(3) 0.0282(12) Uani 1 1 d .
O16 O 0.7510(2) 1.1234(7) 0.8840(3) 0.0258(12) Uani 1 1 d .
O17 O 0.6780(2) 1.1102(8) 0.6533(3) 0.0297(13) Uani 1 1 d .
O1W O 0.8765(2) 0.8428(8) 0.4579(3) 0.0333(13) Uani 1 1 d .
O2W O 0.9418(2) 0.9806(9) 0.9125(3) 0.0371(14) Uani 1 1 d .
O3W O 0.9482(3) 0.3901(11) 0.0378(4) 0.0517(18) Uani 1 1 d .
O4W O 0.6836(3) 0.9185(9) 0.5288(4) 0.063(3) Uani 1 1 d .
O5W O 0.6744(4) 0.3918(11) 0.1627(4) 0.084(4) Uani 1 1 d .
O6W O 0.5965(3) 0.7449(16) 0.0537(4) 0.075(3) Uani 1 1 d .
O8W O 0.5339(7) 0.980(3) 0.9937(9) 0.071(5) Uani 0.50 1 d P
O7W O 0.5260(5) 0.438(2) 0.0378(7) 0.066(4) Uani 0.60 1 d P
O7W' O 0.5142(6) 0.622(3) 0.0282(11) 0.062(6) Uani 0.40 1 d P
O9W O 0.5972(8) 0.177(3) 0.0402(15) 0.120(9) Uani 0.60 1 d P
O9W' O 0.5764(10) 0.301(4) 0.0595(15) 0.095(9) Uani 0.40 1 d P
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'
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
O9 Mn1 O12 170.3(2) 4_565 3_545
O9 Mn1 O14 89.3(2) 4_565 .
O12 Mn1 O14 94.0(2) 3_545 .
O9 Mn1 O1 91.0(2) 4_565 .
O12 Mn1 O1 98.11(19) 3_545 .
O14 Mn1 O1 90.5(2) . .
O9 Mn1 O4 86.44(18) 4_565 2_565
O12 Mn1 O4 84.34(16) 3_545 2_565
O14 Mn1 O4 92.1(2) . 2_565
O1 Mn1 O4 176.25(19) . 2_565
O9 Mn1 O13 89.4(2) 4_565 .
O12 Mn1 O13 87.82(19) 3_545 .
O14 Mn1 O13 176.4(2) . .
O1 Mn1 O13 86.18(18) . .
O4 Mn1 O13 91.09(18) 2_565 .
O7 Mn2 O10 179.5(2) . 4_565
O7 Mn2 O3 90.2(2) . 2_565
O10 Mn2 O3 90.2(2) 4_565 2_565
O7 Mn2 O15 89.4(2) . .
O10 Mn2 O15 90.9(2) 4_565 .
O3 Mn2 O15 91.7(2) 2_565 .
O7 Mn2 O6 94.7(2) . 3_455
O10 Mn2 O6 84.84(19) 4_565 3_455
O3 Mn2 O6 173.4(2) 2_565 3_455
O15 Mn2 O6 92.8(2) . 3_455
O7 Mn2 O13 86.28(18) . .
O10 Mn2 O13 93.40(19) 4_565 .
O3 Mn2 O13 89.65(18) 2_565 .
O15 Mn2 O13 175.5(2) . .
O6 Mn2 O13 86.25(18) 3_455 .
O11 Mn3 O5 163.3(2) 3_545 3_465
O11 Mn3 O16 99.0(2) 3_545 .
O5 Mn3 O16 97.8(2) 3_465 .
O11 Mn3 O17 82.3(2) 3_545 .
O5 Mn3 O17 81.0(2) 3_465 .
O16 Mn3 O17 178.7(2) . .
O11 Mn3 O8 84.4(2) 3_545 .
O5 Mn3 O8 97.4(2) 3_465 .
O16 Mn3 O8 85.1(2) . .
O17 Mn3 O8 94.7(2) . .
O11 Mn3 O2 95.16(19) 3_545 1_565
O5 Mn3 O2 86.7(2) 3_465 1_565
O16 Mn3 O2 82.3(2) . 1_565
O17 Mn3 O2 97.9(2) . 1_565
O8 Mn3 O2 167.18(19) . 1_565
O2 C1 O1 125.2(6) . .
O2 C1 C2 118.0(7) . .
O1 C1 C2 116.7(6) . .
C3 C2 C8 120.3(6) . .
C3 C2 C1 120.8(6) . .
C8 C2 C1 118.9(7) . .
C2 C3 C4 118.3(6) . .
C2 C3 H3 120.8 . .
C4 C3 H3 120.8 . .
C5 C4 C3 121.2(7) . .
C5 C4 N1 114.6(6) . .
C3 C4 N1 124.1(7) . .
C4 C5 C6 120.4(6) . .
C4 C5 H5 119.8 . .
C6 C5 H5 119.8 . .
C8 C6 C5 119.8(6) . .
C8 C6 C7 120.4(6) . .
C5 C6 C7 119.8(6) . .
O3 C7 O4 122.0(7) . .
O3 C7 C6 118.3(6) . .
O4 C7 C6 119.7(6) . .
C6 C8 C2 119.8(6) . .
C6 C8 H8 120.1 . .
C2 C8 H8 120.1 . .
C10 C9 C15 121.8(7) . .
C10 C9 N2 117.0(7) . .
C15 C9 N2 121.1(7) . .
C9 C10 C11 119.4(7) . .
C9 C10 H10 120.3 . .
C11 C10 H10 120.3 . .
C12 C11 C10 120.8(8) . .
C12 C11 H11 119.6 . .
C10 C11 H11 119.6 . .
C11 C12 C14 119.6(7) . .
C11 C12 C13 119.3(7) . .
C14 C12 C13 120.9(7) . .
O6 C13 O5 125.0(7) . .
O6 C13 C12 118.7(7) . .
O5 C13 C12 116.3(7) . .
C15 C14 C12 120.8(7) . .
C15 C14 H14 119.6 . .
C12 C14 H14 119.6 . .
C14 C15 C9 117.5(7) . .
C14 C15 H15 121.2 . .
C9 C15 H15 121.2 . .
O7 C16 O8 124.0(7) . .
O7 C16 C17 116.8(6) . .
O8 C16 C17 119.1(7) . .
C22 C17 C18 118.9(7) . .
C22 C17 C16 119.9(7) . .
C18 C17 C16 121.1(6) . .
C19 C18 C17 120.9(7) . .
C19 C18 H18 119.6 . .
C17 C18 H18 119.6 . .
C18 C19 C20 120.4(7) . .
C18 C19 H19 119.8 . .
C20 C19 H19 119.8 . .
C19 C20 C21 119.8(7) . .
C19 C20 N3 117.3(6) . .
C21 C20 N3 122.8(6) . .
C22 C21 C20 119.7(6) . .
C22 C21 H21 120.2 . .
C20 C21 H21 120.2 . .
C21 C22 C17 120.3(7) . .
C21 C22 H22 119.8 . .
C17 C22 H22 119.8 . .
C30 C23 N4 116.9(6) . .
C30 C23 C24 118.9(6) . .
N4 C23 C24 124.2(6) . .
C25 C24 C23 120.0(6) . .
C25 C24 H24 120.0 . .
C23 C24 H24 120.0 . .
C27 C25 C24 119.6(6) . .
C27 C25 C26 121.0(7) . .
C24 C25 C26 119.0(6) . .
O9 C26 O10 123.6(7) . .
O9 C26 C25 118.2(7) . .
O10 C26 C25 118.2(6) . .
C25 C27 C28 120.8(6) . .
C25 C27 H27 119.6 . .
C28 C27 H27 119.6 . .
C27 C28 C30 120.4(6) . .
C27 C28 C29 120.7(6) . .
C30 C28 C29 118.9(6) . .
O12 C29 O11 124.7(6) . .
O12 C29 C28 119.1(6) . .
O11 C29 C28 116.2(6) . .
C28 C30 C23 120.3(6) . .
C28 C30 H30 119.8 . .
C23 C30 H30 119.8 . .
N2 N1 C4 116.3(6) . .
N1 N2 C9 113.9(6) . .
N4 N3 C20 114.8(6) . .
N3 N4 C23 116.3(6) . .
C1 O1 Mn1 132.7(5) . .
C1 O2 Mn3 126.7(4) . 1_545
C7 O3 Mn2 134.2(5) . 2_564
C7 O4 Mn1 115.5(4) . 2_564
C13 O5 Mn3 125.4(5) . 3_535
C13 O6 Mn2 125.8(5) . 3_545
C16 O7 Mn2 134.4(5) . .
C16 O8 Mn3 128.5(5) . .
C26 O9 Mn1 147.6(5) . 4_464
C26 O10 Mn2 125.0(4) . 4_464
C29 O11 Mn3 131.3(5) . 3_455
C29 O12 Mn1 126.5(4) . 3_455
Mn1 O13 Mn2 112.7(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O9 2.094(5) 4_565
Mn1 O12 2.109(5) 3_545
Mn1 O14 2.168(6) .
Mn1 O1 2.183(5) .
Mn1 O4 2.259(5) 2_565
Mn1 O13 2.297(5) .
Mn2 O7 2.133(5) .
Mn2 O10 2.148(5) 4_565
Mn2 O3 2.158(5) 2_565
Mn2 O15 2.165(5) .
Mn2 O6 2.166(5) 3_455
Mn2 O13 2.323(5) .
Mn3 O11 2.106(5) 3_545
Mn3 O5 2.131(5) 3_465
Mn3 O16 2.168(5) .
Mn3 O17 2.201(5) .
Mn3 O8 2.254(5) .
Mn3 O2 2.265(5) 1_565
C1 O2 1.256(9) .
C1 O1 1.268(10) .
C1 C2 1.526(9) .
C2 C3 1.394(10) .
C2 C8 1.405(10) .
C3 C4 1.415(9) .
C3 H3 0.9300 .
C4 C5 1.350(11) .
C4 N1 1.430(10) .
C5 C6 1.403(10) .
C5 H5 0.9300 .
C6 C8 1.382(9) .
C6 C7 1.496(10) .
C7 O3 1.265(9) .
C7 O4 1.282(8) .
C8 H8 0.9300 .
C9 C10 1.365(11) .
C9 C15 1.424(10) .
C9 N2 1.456(9) .
C10 C11 1.387(11) .
C10 H10 0.9300 .
C11 C12 1.387(11) .
C11 H11 0.9300 .
C12 C14 1.397(11) .
C12 C13 1.515(10) .
C13 O6 1.231(10) .
C13 O5 1.279(9) .
C14 C15 1.392(11) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 O7 1.258(9) .
C16 O8 1.271(9) .
C16 C17 1.494(10) .
C17 C22 1.406(10) .
C17 C18 1.412(10) .
C18 C19 1.371(11) .
C18 H18 0.9300 .
C19 C20 1.398(10) .
C19 H19 0.9300 .
C20 C21 1.408(10) .
C20 N3 1.425(10) .
C21 C22 1.395(10) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C30 1.402(9) .
C23 N4 1.402(10) .
C23 C24 1.420(10) .
C24 C25 1.416(10) .
C24 H24 0.9300 .
C25 C27 1.382(9) .
C25 C26 1.473(10) .
C26 O9 1.265(9) .
C26 O10 1.265(9) .
C27 C28 1.390(10) .
C27 H27 0.9300 .
C28 C30 1.398(10) .
C28 C29 1.506(9) .
C29 O12 1.265(8) .
C29 O11 1.265(9) .
C30 H30 0.9300 .
N1 N2 1.241(9) .
N3 N4 1.241(9) .
O2 Mn3 2.265(5) 1_545
O3 Mn2 2.158(5) 2_564
O4 Mn1 2.259(5) 2_564
O5 Mn3 2.131(5) 3_535
O6 Mn2 2.166(5) 3_545
O9 Mn1 2.094(5) 4_464
O10 Mn2 2.148(5) 4_464
O11 Mn3 2.106(5) 3_455
O12 Mn1 2.109(5) 3_455
