#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/49/7054934.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_7054934
loop_
_publ_author_name
'Li, Xiaoju'
'Sun, Xiaofei'
'Li, Xinxiong'
'Xu, Xiahong'
_publ_section_title
;
 Syntheses and characterizations of six Co(ii) and Mn(ii) coordination
 polymers based on amino-substituted 5-aminoisophthalate and flexible
 bis(imidazolyl) ligands
;
_journal_issue                   9
_journal_name_full               'New J. Chem.'
_journal_page_first              6844
_journal_paper_doi               10.1039/C5NJ00706B
_journal_volume                  39
_journal_year                    2015
_chemical_formula_sum            'C44 H38 Mn2 N10 O8'
_chemical_formula_weight         944.72
_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
_audit_update_record
;
2014-12-02 deposited with the CCDC.
2015-06-16 downloaded from the CCDC.
;
_cell_angle_alpha                79.510(4)
_cell_angle_beta                 82.465(6)
_cell_angle_gamma                84.529(5)
_cell_formula_units_Z            2
_cell_length_a                   11.695(3)
_cell_length_b                   12.743(3)
_cell_length_c                   13.731(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1989.4(8)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.940
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_device_type  'rigaku MM007 CCD'
_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  0.0209
_diffrn_reflns_av_sigmaI/netI    0.0323
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15767
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         2.03
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    0.706
_exptl_absorpt_correction_T_max  0.8894
_exptl_absorpt_correction_T_min  0.8004
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             972
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.463
_refine_diff_density_min         -0.632
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         8567
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0606
_refine_ls_R_factor_gt           0.0522
_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)+(0.1508P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1838
_refine_ls_wR_factor_ref         0.1925
_reflns_number_gt                6859
_reflns_number_total             8567
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5nj00706b2.cif
_cod_data_source_block           441
_cod_depositor_comments
'Adding full bibliography for 7054932--7054937.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7054934
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 -0.11576(3) 0.85146(3) 0.34189(3) 0.02415(14) Uani 1 1 d .
Mn2 Mn 0.11683(3) 0.65179(3) 0.14989(3) 0.02419(14) Uani 1 1 d .
O1 O 0.04421(15) 0.76052(15) 0.35702(16) 0.0362(5) Uani 1 1 d .
O2 O 0.19523(15) 0.69102(16) 0.26854(15) 0.0340(4) Uani 1 1 d .
O3 O 0.11654(15) 1.07738(15) 0.51575(15) 0.0344(4) Uani 1 1 d .
O4 O 0.27152(16) 1.04437(16) 0.59422(15) 0.0353(4) Uani 1 1 d .
O5 O -0.19045(16) 0.83059(15) 0.21207(14) 0.0332(4) Uani 1 1 d .
O6 O -0.03934(15) 0.75014(16) 0.13273(16) 0.0362(5) Uani 1 1 d .
O7 O -0.12108(15) 0.44261(15) -0.02485(15) 0.0338(4) Uani 1 1 d .
O8 O -0.27402(17) 0.46697(16) -0.10702(15) 0.0377(5) Uani 1 1 d .
N1 N 0.54354(17) 0.8428(2) 0.35217(19) 0.0407(6) Uani 1 1 d .
H1A H 0.5709 0.7963 0.3154 0.049 Uiso 1 1 calc R
H1B H 0.5896 0.8807 0.3726 0.049 Uiso 1 1 calc R
N2 N -0.54012(18) 0.7142(2) 0.0938(2) 0.0478(7) Uani 1 1 d .
H2A H -0.5868 0.6785 0.0716 0.057 Uiso 1 1 calc R
H2B H -0.5669 0.7637 0.1274 0.057 Uiso 1 1 calc R
N3 N -0.20559(18) 0.70502(18) 0.42140(18) 0.0336(5) Uani 1 1 d .
N4 N -0.29406(18) 0.58852(18) 0.53941(18) 0.0332(5) Uani 1 1 d .
N5 N -0.91652(18) 0.62024(18) 0.70901(18) 0.0318(5) Uani 1 1 d .
N6 N -1.02697(19) 0.48513(19) 0.75378(18) 0.0337(5) Uani 1 1 d .
N7 N -0.03536(19) 1.00028(18) 0.25636(18) 0.0315(5) Uani 1 1 d .
N8 N 0.06922(18) 1.14017(18) 0.21475(18) 0.0315(5) Uani 1 1 d .
N9 N 0.70226(17) 1.11488(18) 0.08205(17) 0.0330(5) Uani 1 1 d .
N10 N 0.79672(18) 1.21564(17) -0.04525(17) 0.0313(5) Uani 1 1 d .
C1 C 0.1504(2) 0.74970(18) 0.32977(18) 0.0237(5) Uani 1 1 d .
C2 C 0.23075(19) 0.81172(18) 0.37140(17) 0.0227(5) Uani 1 1 d .
C3 C 0.18611(19) 0.88707(18) 0.43055(17) 0.0229(5) Uani 1 1 d .
H3 H 0.1069 0.8961 0.4490 0.027 Uiso 1 1 calc R
C4 C 0.2616(2) 0.94908(18) 0.46199(17) 0.0241(5) Uani 1 1 d .
C5 C 0.2141(2) 1.02904(19) 0.52763(18) 0.0257(5) Uani 1 1 d .
C6 C 0.3795(2) 0.9341(2) 0.43625(19) 0.0275(5) Uani 1 1 d .
H6 H 0.4288 0.9760 0.4577 0.033 Uiso 1 1 calc R
C7 C 0.42603(19) 0.8568(2) 0.37832(18) 0.0276(5) Uani 1 1 d .
C8 C 0.34945(19) 0.79665(19) 0.34628(18) 0.0260(5) Uani 1 1 d .
H8 H 0.3783 0.7454 0.3073 0.031 Uiso 1 1 calc R
C9 C -0.1457(2) 0.77032(18) 0.15170(18) 0.0240(5) Uani 1 1 d .
C10 C -0.22647(19) 0.71872(18) 0.10084(17) 0.0235(5) Uani 1 1 d .
C11 C -0.18345(19) 0.63795(18) 0.04692(17) 0.0228(5) Uani 1 1 d .
H11 H -0.1043 0.6204 0.0367 0.027 Uiso 1 1 calc R
C12 C -0.2607(2) 0.58342(18) 0.00821(17) 0.0251(5) Uani 1 1 d .
C13 C -0.2163(2) 0.49225(19) -0.04492(18) 0.0277(5) Uani 1 1 d .
C14 C -0.3783(2) 0.6119(2) 0.02113(19) 0.0291(5) Uani 1 1 d .
H14 H -0.4286 0.5770 -0.0070 0.035 Uiso 1 1 calc R
C15 C -0.42284(19) 0.6921(2) 0.07565(18) 0.0282(5) Uani 1 1 d .
C16 C -0.34498(19) 0.74567(19) 0.11438(18) 0.0274(5) Uani 1 1 d .
H16 H -0.3729 0.8002 0.1498 0.033 Uiso 1 1 calc R
C17 C -0.2421(3) 0.6268(2) 0.3797(2) 0.0443(7) Uani 1 1 d .
H17 H -0.2309 0.6234 0.3120 0.053 Uiso 1 1 calc R
C18 C -0.2972(3) 0.5546(2) 0.4513(2) 0.0473(8) Uani 1 1 d .
H18 H -0.3304 0.4942 0.4420 0.057 Uiso 1 1 calc R
C19 C -0.2396(2) 0.6792(2) 0.5174(2) 0.0362(6) Uani 1 1 d .
H19 H -0.2271 0.7194 0.5646 0.043 Uiso 1 1 calc R
C20 C -0.3517(2) 0.5406(2) 0.6357(2) 0.0406(7) Uani 1 1 d .
H20A H -0.3109 0.5556 0.6882 0.049 Uiso 1 1 calc R
H20B H -0.3475 0.4636 0.6397 0.049 Uiso 1 1 calc R
C21 C -0.4773(2) 0.5815(2) 0.6532(2) 0.0316(6) Uani 1 1 d .
C22 C -0.5472(2) 0.5303(2) 0.7337(2) 0.0426(7) Uani 1 1 d .
H22 H -0.5168 0.4704 0.7743 0.051 Uiso 1 1 calc R
C23 C -0.6615(2) 0.5666(2) 0.7546(2) 0.0410(7) Uani 1 1 d .
H23 H -0.7068 0.5310 0.8092 0.049 Uiso 1 1 calc R
C24 C -0.7094(2) 0.6553(2) 0.6953(2) 0.0307(5) Uani 1 1 d .
C25 C -0.6398(2) 0.7053(2) 0.6144(2) 0.0417(7) Uani 1 1 d .
H25 H -0.6706 0.7644 0.5731 0.050 Uiso 1 1 calc R
C26 C -0.5254(2) 0.6695(2) 0.5931(2) 0.0427(7) Uani 1 1 d .
H26 H -0.4804 0.7047 0.5382 0.051 Uiso 1 1 calc R
C27 C -0.8337(2) 0.6972(2) 0.7171(2) 0.0381(6) Uani 1 1 d .
H27A H -0.8457 0.7140 0.7840 0.046 Uiso 1 1 calc R
H27B H -0.8483 0.7628 0.6708 0.046 Uiso 1 1 calc R
C28 C -0.9609(2) 0.5473(2) 0.7850(2) 0.0320(6) Uani 1 1 d .
H28 H -0.9467 0.5417 0.8509 0.038 Uiso 1 1 calc R
C29 C -0.9572(3) 0.6038(3) 0.6238(2) 0.0415(7) Uani 1 1 d .
H29 H -0.9412 0.6420 0.5597 0.050 Uiso 1 1 calc R
C30 C -1.0248(3) 0.5210(3) 0.6522(2) 0.0422(7) Uani 1 1 d .
H30 H -1.0641 0.4923 0.6098 0.051 Uiso 1 1 calc R
C31 C 0.0266(2) 1.0648(2) 0.2894(2) 0.0297(5) Uani 1 1 d .
H31 H 0.0392 1.0591 0.3557 0.036 Uiso 1 1 calc R
C32 C -0.0316(2) 1.0373(2) 0.1549(2) 0.0371(6) Uani 1 1 d .
H32 H -0.0677 1.0073 0.1112 0.045 Uiso 1 1 calc R
C33 C 0.0320(2) 1.1230(2) 0.1287(2) 0.0380(7) Uani 1 1 d .
H33 H 0.0474 1.1626 0.0651 0.046 Uiso 1 1 calc R
C34 C 0.1492(2) 1.2187(2) 0.2242(3) 0.0393(7) Uani 1 1 d .
H34A H 0.1328 1.2373 0.2904 0.047 Uiso 1 1 calc R
H34B H 0.1352 1.2833 0.1763 0.047 Uiso 1 1 calc R
C35 C 0.2751(2) 1.1801(2) 0.2078(2) 0.0302(5) Uani 1 1 d .
C36 C 0.3133(2) 1.0779(2) 0.1954(3) 0.0487(8) Uani 1 1 d .
H36 H 0.2599 1.0285 0.1947 0.058 Uiso 1 1 calc R
C37 C 0.4308(2) 1.0471(2) 0.1841(3) 0.0478(8) Uani 1 1 d .
H37 H 0.4547 0.9777 0.1743 0.057 Uiso 1 1 calc R
C38 C 0.5121(2) 1.1163(2) 0.1870(2) 0.0349(6) Uani 1 1 d .
C39 C 0.4727(2) 1.2210(3) 0.1962(3) 0.0501(8) Uani 1 1 d .
H39 H 0.5260 1.2706 0.1964 0.060 Uiso 1 1 calc R
C40 C 0.3559(2) 1.2530(2) 0.2052(3) 0.0483(8) Uani 1 1 d .
H40 H 0.3318 1.3238 0.2096 0.058 Uiso 1 1 calc R
C41 C 0.6395(2) 1.0814(3) 0.1808(2) 0.0435(7) Uani 1 1 d .
H41A H 0.6737 1.1108 0.2296 0.052 Uiso 1 1 calc R
H41B H 0.6486 1.0040 0.1979 0.052 Uiso 1 1 calc R
C42 C 0.7268(3) 1.0555(2) 0.0086(2) 0.0439(7) Uani 1 1 d .
H42 H 0.7076 0.9859 0.0109 0.053 Uiso 1 1 calc R
C43 C 0.7852(3) 1.1181(2) -0.0692(2) 0.0431(7) Uani 1 1 d .
H43 H 0.8133 1.0975 -0.1299 0.052 Uiso 1 1 calc R
C44 C 0.7459(2) 1.2101(2) 0.0465(2) 0.0331(6) Uani 1 1 d .
H44 H 0.7406 1.2657 0.0827 0.040 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'
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
O1 Mn1 O5 112.46(7) . .
O1 Mn1 N7 94.69(8) . .
O5 Mn1 N7 90.68(8) . .
O1 Mn1 N3 88.26(8) . .
O5 Mn1 N3 86.19(8) . .
N7 Mn1 N3 176.35(8) . .
O1 Mn1 O3 94.69(7) . 2_576
O5 Mn1 O3 152.85(7) . 2_576
N7 Mn1 O3 87.58(8) . 2_576
N3 Mn1 O3 94.33(8) . 2_576
O1 Mn1 O4 150.82(8) . 2_576
O5 Mn1 O4 96.17(7) . 2_576
N7 Mn1 O4 90.31(8) . 2_576
N3 Mn1 O4 88.15(8) . 2_576
O3 Mn1 O4 56.76(6) 2_576 2_576
O2 Mn2 O6 109.05(7) . .
O2 Mn2 N10 89.51(8) . 2_675
O6 Mn2 N10 85.80(8) . 2_675
O2 Mn2 N6 94.16(9) . 2_466
O6 Mn2 N6 93.70(8) . 2_466
N10 Mn2 N6 176.25(8) 2_675 2_466
O2 Mn2 O7 150.00(7) . 2_565
O6 Mn2 O7 100.89(7) . 2_565
N10 Mn2 O7 90.83(8) 2_675 2_565
N6 Mn2 O7 85.61(8) 2_466 2_565
O2 Mn2 O8 92.93(7) . 2_565
O6 Mn2 O8 157.34(8) . 2_565
N10 Mn2 O8 89.04(8) 2_675 2_565
N6 Mn2 O8 90.02(8) 2_466 2_565
O7 Mn2 O8 57.09(6) 2_565 2_565
O2 Mn2 C13 121.28(8) . 2_565
O6 Mn2 C13 129.61(8) . 2_565
N10 Mn2 C13 92.11(8) 2_675 2_565
N6 Mn2 C13 85.34(8) 2_466 2_565
O7 Mn2 C13 28.73(7) 2_565 2_565
O8 Mn2 C13 28.51(7) 2_565 2_565
C1 O1 Mn1 148.48(18) . .
C1 O2 Mn2 126.54(16) . .
C5 O3 Mn1 91.01(15) . 2_576
C5 O4 Mn1 89.99(14) . 2_576
C9 O5 Mn1 124.47(16) . .
C9 O6 Mn2 152.78(18) . .
C13 O7 Mn2 92.01(15) . 2_565
C13 O8 Mn2 88.18(15) . 2_565
C19 N3 C17 104.7(2) . .
C19 N3 Mn1 127.8(2) . .
C17 N3 Mn1 127.45(19) . .
C19 N4 C18 106.5(2) . .
C19 N4 C20 127.8(3) . .
C18 N4 C20 125.4(2) . .
C28 N5 C29 107.4(2) . .
C28 N5 C27 125.1(3) . .
C29 N5 C27 127.4(2) . .
C28 N6 C30 105.4(2) . .
C28 N6 Mn2 125.2(2) . 2_466
C30 N6 Mn2 129.3(2) . 2_466
C31 N7 C32 105.1(2) . .
C31 N7 Mn1 128.07(19) . .
C32 N7 Mn1 126.6(2) . .
C31 N8 C33 107.3(2) . .
C31 N8 C34 125.4(3) . .
C33 N8 C34 127.1(2) . .
C44 N9 C42 106.7(2) . .
C44 N9 C41 127.0(3) . .
C42 N9 C41 126.3(2) . .
C44 N10 C43 104.6(2) . .
C44 N10 Mn2 131.56(19) . 2_675
C43 N10 Mn2 123.84(19) . 2_675
O1 C1 O2 124.1(2) . .
O1 C1 C2 118.6(2) . .
O2 C1 C2 117.3(2) . .
C8 C2 C3 120.2(2) . .
C8 C2 C1 119.5(2) . .
C3 C2 C1 120.2(2) . .
C2 C3 C4 119.2(2) . .
C6 C4 C3 120.3(2) . .
C6 C4 C5 120.2(2) . .
C3 C4 C5 119.5(2) . .
O4 C5 O3 121.7(2) . .
O4 C5 C4 119.2(2) . .
O3 C5 C4 119.1(2) . .
C4 C6 C7 121.1(2) . .
N1 C7 C8 121.2(2) . .
N1 C7 C6 120.9(2) . .
C8 C7 C6 117.9(2) . .
C2 C8 C7 121.3(2) . .
O6 C9 O5 124.1(2) . .
O6 C9 C10 118.4(2) . .
O5 C9 C10 117.5(2) . .
C16 C10 C11 120.0(2) . .
C16 C10 C9 119.9(2) . .
C11 C10 C9 119.8(2) . .
C10 C11 C12 119.3(2) . .
C14 C12 C11 120.1(2) . .
C14 C12 C13 119.9(2) . .
C11 C12 C13 120.0(2) . .
O8 C13 O7 122.0(2) . .
O8 C13 C12 119.8(2) . .
O7 C13 C12 118.2(2) . .
O8 C13 Mn2 63.30(13) . 2_565
O7 C13 Mn2 59.25(13) . 2_565
C12 C13 Mn2 172.47(17) . 2_565
C12 C14 C15 121.2(2) . .
N2 C15 C14 120.5(2) . .
N2 C15 C16 121.3(2) . .
C14 C15 C16 118.1(2) . .
C10 C16 C15 121.2(2) . .
C18 C17 N3 110.2(3) . .
C17 C18 N4 106.2(3) . .
N3 C19 N4 112.5(3) . .
N4 C20 C21 113.0(2) . .
C26 C21 C22 118.2(2) . .
C26 C21 C20 122.9(2) . .
C22 C21 C20 118.9(2) . .
C23 C22 C21 121.1(2) . .
C22 C23 C24 120.8(2) . .
C25 C24 C23 117.9(2) . .
C25 C24 C27 120.3(2) . .
C23 C24 C27 121.8(2) . .
C24 C25 C26 121.6(2) . .
C25 C26 C21 120.5(2) . .
N5 C27 C24 112.7(2) . .
N6 C28 N5 111.2(3) . .
C30 C29 N5 106.0(3) . .
C29 C30 N6 110.0(3) . .
N7 C31 N8 111.4(2) . .
C33 C32 N7 110.1(3) . .
C32 C33 N8 106.1(2) . .
N8 C34 C35 113.9(2) . .
C36 C35 C40 118.5(3) . .
C36 C35 C34 124.1(2) . .
C40 C35 C34 117.4(2) . .
C35 C36 C37 120.8(3) . .
C38 C37 C36 121.6(3) . .
C37 C38 C39 117.2(3) . .
C37 C38 C41 121.8(3) . .
C39 C38 C41 121.0(3) . .
C40 C39 C38 121.5(3) . .
C35 C40 C39 120.2(3) . .
N9 C41 C38 113.4(2) . .
N9 C42 C43 106.2(3) . .
C42 C43 N10 110.2(3) . .
N10 C44 N9 112.3(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O1 2.1183(18) .
Mn1 O5 2.1533(19) .
Mn1 N7 2.258(2) .
Mn1 N3 2.260(2) .
Mn1 O3 2.2983(19) 2_576
Mn1 O4 2.3224(19) 2_576
Mn2 O2 2.1262(19) .
Mn2 O6 2.1285(18) .
Mn2 N10 2.236(2) 2_675
Mn2 N6 2.246(2) 2_466
Mn2 O7 2.2618(19) 2_565
Mn2 O8 2.3508(19) 2_565
Mn2 C13 2.630(2) 2_565
O1 C1 1.252(3) .
O2 C1 1.257(3) .
O3 C5 1.259(3) .
O3 Mn1 2.2983(19) 2_576
O4 C5 1.256(3) .
O4 Mn1 2.3224(19) 2_576
O5 C9 1.262(3) .
O6 C9 1.249(3) .
O7 C13 1.265(3) .
O7 Mn2 2.2618(19) 2_565
O8 C13 1.256(3) .
O8 Mn2 2.3508(19) 2_565
N1 C7 1.377(3) .
N2 C15 1.373(3) .
N3 C19 1.316(4) .
N3 C17 1.363(4) .
N4 C19 1.340(3) .
N4 C18 1.363(4) .
N4 C20 1.458(3) .
N5 C28 1.348(3) .
N5 C29 1.376(4) .
N5 C27 1.470(3) .
N6 C28 1.318(4) .
N6 C30 1.384(4) .
N6 Mn2 2.246(2) 2_466
N7 C31 1.320(3) .
N7 C32 1.383(4) .
N8 C31 1.349(3) .
N8 C33 1.372(4) .
N8 C34 1.467(3) .
N9 C44 1.344(3) .
N9 C42 1.353(4) .
N9 C41 1.465(3) .
N10 C44 1.313(3) .
N10 C43 1.364(4) .
N10 Mn2 2.236(2) 2_675
C1 C2 1.510(3) .
C2 C8 1.390(3) .
C2 C3 1.390(3) .
C3 C4 1.395(3) .
C4 C6 1.382(3) .
C4 C5 1.502(3) .
C6 C7 1.403(3) .
C7 C8 1.393(3) .
C9 C10 1.507(3) .
C10 C16 1.392(3) .
C10 C11 1.393(3) .
C11 C12 1.400(3) .
C12 C14 1.386(3) .
C12 C13 1.498(3) .
C13 Mn2 2.630(2) 2_565
C14 C15 1.397(3) .
C15 C16 1.398(3) .
C17 C18 1.359(4) .
C20 C21 1.514(3) .
C21 C26 1.385(3) .
C21 C22 1.385(4) .
C22 C23 1.384(4) .
C23 C24 1.386(4) .
C24 C25 1.381(4) .
C24 C27 1.510(3) .
C25 C26 1.384(3) .
C29 C30 1.349(4) .
C32 C33 1.349(4) .
C34 C35 1.509(4) .
C35 C36 1.369(4) .
C35 C40 1.381(4) .
C36 C37 1.389(4) .
C37 C38 1.366(4) .
C38 C39 1.392(4) .
C38 C41 1.510(4) .
C39 C40 1.383(4) .
C42 C43 1.359(4) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1B O4 0.86 2.10 2.946(3) 168.2 2_676
