#------------------------------------------------------------------------------
#$Date: 2017-02-04 15:49:48 +0200 (Sat, 04 Feb 2017) $
#$Revision: 191595 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/12/7041297.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_7041297
loop_
_publ_author_name
'Zhou, Xinhui'
'Chen, Qianqian'
'Liu, Baolin'
'Li, Liang'
'Yang, Tao'
'Huang, Wei'
_publ_section_title
;
 Syntheses, structures and magnetic properties of nine coordination
 polymers based on terphenyl-tetracarboxylic acid ligands.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              430
_journal_page_last               444
_journal_paper_doi               10.1039/c6dt04270h
_journal_volume                  46
_journal_year                    2017
_chemical_formula_sum            'C50 H37 Mn2 N5 O10'
_chemical_formula_weight         977.73
_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
;
2016-01-04 deposited with the CCDC.
2016-11-30 downloaded from the CCDC.
;
_cell_angle_alpha                93.894(2)
_cell_angle_beta                 101.364(2)
_cell_angle_gamma                97.993(2)
_cell_formula_units_Z            2
_cell_length_a                   9.5209(10)
_cell_length_b                   12.3845(12)
_cell_length_c                   19.0352(18)
_cell_measurement_reflns_used    1975
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      20.3
_cell_measurement_theta_min      2.0
_cell_volume                     2168.6(4)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  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 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker Smart Aepex 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  0.0396
_diffrn_reflns_av_sigmaI/netI    0.0716
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            12809
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.19
_exptl_absorpt_coefficient_mu    0.651
_exptl_absorpt_correction_T_max  0.9377
_exptl_absorpt_correction_T_min  0.9259
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1004
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.412
_refine_diff_density_min         -0.604
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         7482
_refine_ls_number_restraints     282
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.1097
_refine_ls_R_factor_gt           0.0718
_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)+(0.0957P)²+3.8624P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1763
_refine_ls_wR_factor_ref         0.1991
_reflns_number_gt                4999
_reflns_number_total             7482
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt04270h2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7041290--7041299.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7041297
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 0.02069(8) 0.35675(6) 0.20870(4) 0.0212(2) Uani 1 1 d .
Mn2 Mn -0.01837(8) 0.12720(6) 0.29987(4) 0.0215(2) Uani 1 1 d .
C1 C 0.2958(9) 0.4115(7) 0.1289(4) 0.069(2) Uani 1 1 d U
H1 H 0.3251 0.3519 0.1517 0.083 Uiso 1 1 calc R
C2 C 0.3797(12) 0.4582(9) 0.0852(5) 0.103(3) Uani 1 1 d U
H2 H 0.4636 0.4321 0.0785 0.124 Uiso 1 1 calc R
C3 C 0.3331(13) 0.5480(10) 0.0505(6) 0.108(3) Uani 1 1 d U
H3 H 0.3883 0.5838 0.0213 0.130 Uiso 1 1 calc R
C4 C 0.2026(13) 0.5837(8) 0.0601(5) 0.094(3) Uani 1 1 d U
C5 C 0.1576(15) 0.6690(10) 0.0253(6) 0.121(4) Uani 1 1 d U
H5 H 0.2104 0.7042 -0.0051 0.145 Uiso 1 1 calc R
C6 C 0.0302(15) 0.7014(10) 0.0369(6) 0.118(4) Uani 1 1 d U
H6 H -0.0036 0.7595 0.0138 0.142 Uiso 1 1 calc R
C7 C -0.0478(11) 0.6492(7) 0.0822(4) 0.079(3) Uani 1 1 d U
C8 C -0.1781(14) 0.6817(9) 0.0956(6) 0.111(4) Uani 1 1 d U
H8 H -0.2117 0.7416 0.0749 0.134 Uiso 1 1 calc R
C9 C -0.2568(13) 0.6231(9) 0.1405(6) 0.109(3) Uani 1 1 d U
H9 H -0.3419 0.6435 0.1504 0.131 Uiso 1 1 calc R
C10 C -0.2022(9) 0.5346(7) 0.1691(4) 0.073(2) Uani 1 1 d U
H10 H -0.2551 0.4933 0.1968 0.088 Uiso 1 1 calc R
C11 C -0.0038(9) 0.5611(6) 0.1177(4) 0.060(2) Uani 1 1 d U
C12 C 0.1317(8) 0.5292(6) 0.1067(3) 0.0517(17) Uani 1 1 d U
C13 C 0.0661(8) -0.1171(6) 0.2595(4) 0.0574(19) Uani 1 1 d U
H13 H 0.0989 -0.0830 0.2224 0.069 Uiso 1 1 calc R
C14 C 0.0834(9) -0.2263(6) 0.2664(4) 0.067(2) Uani 1 1 d U
H14 H 0.1308 -0.2624 0.2359 0.080 Uiso 1 1 calc R
C15 C 0.0306(9) -0.2790(6) 0.3178(4) 0.063(2) Uani 1 1 d U
H15 H 0.0396 -0.3521 0.3224 0.076 Uiso 1 1 calc R
C16 C -0.0375(8) -0.2223(5) 0.3639(4) 0.0501(17) Uani 1 1 d U
C17 C -0.0921(9) -0.2700(6) 0.4212(4) 0.061(2) Uani 1 1 d U
H17 H -0.0846 -0.3428 0.4280 0.074 Uiso 1 1 calc R
C18 C -0.1537(9) -0.2124(6) 0.4655(4) 0.062(2) Uani 1 1 d U
H18 H -0.1891 -0.2462 0.5020 0.074 Uiso 1 1 calc R
C19 C -0.1661(7) -0.1003(5) 0.4576(3) 0.0463(16) Uani 1 1 d U
C20 C -0.2290(8) -0.0365(6) 0.5026(4) 0.0542(18) Uani 1 1 d U
H20 H -0.2637 -0.0660 0.5407 0.065 Uiso 1 1 calc R
C21 C -0.2388(8) 0.0686(6) 0.4899(4) 0.0527(17) Uani 1 1 d U
H21 H -0.2837 0.1111 0.5183 0.063 Uiso 1 1 calc R
C22 C -0.1816(7) 0.1130(5) 0.4346(4) 0.0488(16) Uani 1 1 d U
H22 H -0.1890 0.1856 0.4271 0.059 Uiso 1 1 calc R
C23 C -0.1126(6) -0.0499(4) 0.4020(3) 0.0346(13) Uani 1 1 d U
C24 C -0.0451(6) -0.1116(5) 0.3546(3) 0.0359(13) Uani 1 1 d U
C25 C 0.2748(6) 0.2598(4) 0.3163(3) 0.0278(12) Uani 1 1 d U
C26 C 0.4304(5) 0.3025(4) 0.3528(3) 0.0245(11) Uani 1 1 d U
C27 C 0.5208(6) 0.3661(5) 0.3180(3) 0.0365(14) Uani 1 1 d U
H27 H 0.4859 0.3808 0.2711 0.044 Uiso 1 1 calc R
C28 C 0.4858(6) 0.2825(5) 0.4220(3) 0.0326(13) Uani 1 1 d U
H28 H 0.4290 0.2371 0.4460 0.039 Uiso 1 1 calc R
C29 C -0.0134(5) 0.3860(4) 0.3598(3) 0.0215(11) Uani 1 1 d U
C30 C -0.0131(5) 0.4476(4) 0.4313(2) 0.0203(10) Uani 1 1 d U
C31 C 0.1197(5) 0.5026(4) 0.4698(2) 0.0218(11) Uani 1 1 d U
H31 H 0.2004 0.5039 0.4490 0.026 Uiso 1 1 calc R
C32 C -0.1369(5) 0.4441(4) 0.4614(2) 0.0191(10) Uani 1 1 d U
C33 C -0.2854(5) 0.3919(4) 0.4223(2) 0.0217(11) Uani 1 1 d U
C34 C -0.3387(6) 0.4081(5) 0.3513(3) 0.0301(12) Uani 1 1 d U
H34 H -0.2788 0.4478 0.3259 0.036 Uiso 1 1 calc R
C35 C -0.3749(6) 0.3288(5) 0.4565(3) 0.0312(12) Uani 1 1 d U
H35 H -0.3414 0.3166 0.5042 0.037 Uiso 1 1 calc R
C36 C -0.2777(6) 0.2022(5) 0.2022(3) 0.0344(14) Uani 1 1 d U
C37 C -0.4313(5) 0.1691(4) 0.1603(3) 0.0282(12) Uani 1 1 d U
C38 C -0.5369(6) 0.1237(5) 0.1947(3) 0.0396(14) Uani 1 1 d U
H38 H -0.5140 0.1175 0.2439 0.048 Uiso 1 1 calc R
C39 C -0.4678(7) 0.1805(6) 0.0891(3) 0.0470(16) Uani 1 1 d U
H39 H -0.3993 0.2154 0.0660 0.056 Uiso 1 1 calc R
C40 C 0.0173(6) 0.1318(5) 0.1347(3) 0.0313(13) Uani 1 1 d U
C41 C 0.0130(5) 0.0598(4) 0.0664(3) 0.0262(11) Uani 1 1 d U
C42 C 0.1391(5) 0.0476(4) 0.0406(3) 0.0265(12) Uani 1 1 d U
C43 C 0.1199(6) -0.0129(5) -0.0262(3) 0.0308(12) Uani 1 1 d U
H43 H 0.2018 -0.0219 -0.0444 0.037 Uiso 1 1 calc R
C44 C 0.2870(5) 0.0929(4) 0.0828(3) 0.0258(11) Uani 1 1 d U
C45 C 0.3921(7) 0.1402(6) 0.0501(3) 0.0497(17) Uani 1 1 d U
H45 H 0.3699 0.1456 0.0007 0.060 Uiso 1 1 calc R
C46 C 0.3235(6) 0.0872(5) 0.1562(3) 0.0383(14) Uani 1 1 d U
H46 H 0.2529 0.0583 0.1802 0.046 Uiso 1 1 calc R
C47 C 0.419(3) 0.638(2) 0.3304(17) 0.309(19) Uani 1 1 d .
H47A H 0.4993 0.6048 0.3525 0.463 Uiso 1 1 d R
H47B H 0.3583 0.5885 0.2919 0.463 Uiso 1 1 d R
H47C H 0.3636 0.6557 0.3655 0.463 Uiso 1 1 d R
C48 C 0.499(3) 0.730(3) 0.2374(15) 0.325(16) Uani 1 1 d U
H48A H 0.4727 0.7870 0.2076 0.487 Uiso 1 1 d R
H48B H 0.4387 0.6622 0.2178 0.487 Uiso 1 1 d R
H48C H 0.5988 0.7236 0.2390 0.487 Uiso 1 1 d R
C49 C 0.463(2) 0.806(5) 0.3472(12) 0.39(5) Uani 1 1 d .
C50 C 0.470(3) 0.935(3) 0.3276(19) 0.34(2) Uani 1 1 d .
H50A H 0.4806 0.9382 0.2786 0.507 Uiso 1 1 d R
H50B H 0.5523 0.9791 0.3591 0.507 Uiso 1 1 d R
H50C H 0.3832 0.9620 0.3336 0.507 Uiso 1 1 d R
N1 N 0.1755(7) 0.4446(5) 0.1411(3) 0.0615(16) Uani 1 1 d .
N2 N -0.0731(8) 0.5037(5) 0.1588(3) 0.0659(18) Uani 1 1 d .
N3 N 0.0056(5) -0.0595(4) 0.3031(3) 0.0406(12) Uani 1 1 d .
N4 N -0.1166(5) 0.0567(4) 0.3916(3) 0.0369(12) Uani 1 1 d .
N5 N 0.475(3) 0.758(4) 0.3017(13) 0.36(3) Uani 1 1 d .
O1 O 0.2190(4) 0.3123(3) 0.26726(19) 0.0395(10) Uani 1 1 d .
O2 O 0.2120(4) 0.1762(3) 0.3376(2) 0.0368(9) Uani 1 1 d .
O3 O 0.0067(4) 0.4419(3) 0.30897(18) 0.0349(9) Uani 1 1 d .
O4 O -0.0284(4) 0.2852(3) 0.35720(19) 0.0342(9) Uani 1 1 d .
O5 O -0.2060(4) 0.2862(3) 0.1878(2) 0.0475(11) Uani 1 1 d .
O6 O -0.2348(4) 0.1401(4) 0.2483(2) 0.0470(11) Uani 1 1 d .
O7 O -0.0005(5) 0.0866(4) 0.1889(2) 0.0480(11) Uani 1 1 d .
O8 O 0.0298(5) 0.2313(4) 0.1279(2) 0.0465(11) Uani 1 1 d .
O9 O 0.4256(13) 0.8066(10) 0.4072(7) 0.192(5) Uani 1 1 d .
O10 O 0.348(4) 0.113(2) 0.817(2) 0.88(5) Uani 1 1 d .
H10A H 0.3298 0.0529 0.7901 1.060 Uiso 1 1 d R
H10B H 0.3484 0.0985 0.8597 1.060 Uiso 1 1 d 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
O8 Mn1 O3 162.76(16) . .
O8 Mn1 O1 85.87(16) . .
O3 Mn1 O1 86.05(15) . .
O8 Mn1 O5 83.21(17) . .
O3 Mn1 O5 91.85(16) . .
O1 Mn1 O5 135.06(17) . .
O8 Mn1 N2 111.64(19) . .
O3 Mn1 N2 83.88(18) . .
O1 Mn1 N2 141.6(2) . .
O5 Mn1 N2 82.3(2) . .
O8 Mn1 N1 76.51(19) . .
O3 Mn1 N1 117.54(18) . .
O1 Mn1 N1 83.18(19) . .
O5 Mn1 N1 135.14(19) . .
N2 Mn1 N1 69.2(2) . .
O6 Mn2 O2 157.74(16) . .
O6 Mn2 O7 81.89(17) . .
O2 Mn2 O7 93.75(16) . .
O6 Mn2 O4 83.35(16) . .
O2 Mn2 O4 83.05(15) . .
O7 Mn2 O4 130.51(15) . .
O6 Mn2 N4 86.54(17) . .
O2 Mn2 N4 109.21(16) . .
O7 Mn2 N4 142.05(17) . .
O4 Mn2 N4 83.25(15) . .
O6 Mn2 N3 109.16(17) . .
O2 Mn2 N3 91.36(16) . .
O7 Mn2 N3 79.86(17) . .
O4 Mn2 N3 149.28(16) . .
N4 Mn2 N3 70.09(17) . .
N1 C1 C2 124.9(9) . .
N1 C1 H1 117.6 . .
C2 C1 H1 117.6 . .
C1 C2 C3 116.8(10) . .
C1 C2 H2 121.6 . .
C3 C2 H2 121.6 . .
C2 C3 C4 120.1(9) . .
C2 C3 H3 119.9 . .
C4 C3 H3 119.9 . .
C5 C4 C12 124.5(11) . .
C5 C4 C3 119.5(10) . .
C12 C4 C3 116.0(9) . .
C4 C5 C6 117.3(11) . .
C4 C5 H5 121.4 . .
C6 C5 H5 121.4 . .
C7 C6 C5 121.2(10) . .
C7 C6 H6 119.4 . .
C5 C6 H6 119.4 . .
C6 C7 C11 122.2(10) . .
C6 C7 C8 122.2(9) . .
C11 C7 C8 115.6(9) . .
C9 C8 C7 120.1(10) . .
C9 C8 H8 119.9 . .
C7 C8 H8 119.9 . .
C10 C9 C8 117.2(10) . .
C10 C9 H9 121.4 . .
C8 C9 H9 121.4 . .
C9 C10 N2 123.7(9) . .
C9 C10 H10 118.1 . .
N2 C10 H10 118.1 . .
N2 C11 C7 126.6(8) . .
N2 C11 C12 117.0(7) . .
C7 C11 C12 116.4(7) . .
N1 C12 C4 124.8(8) . .
N1 C12 C11 116.8(6) . .
C4 C12 C11 118.3(8) . .
N3 C13 C14 123.4(7) . .
N3 C13 H13 118.3 . .
C14 C13 H13 118.3 . .
C15 C14 C13 119.4(7) . .
C15 C14 H14 120.3 . .
C13 C14 H14 120.3 . .
C14 C15 C16 119.2(7) . .
C14 C15 H15 120.4 . .
C16 C15 H15 120.4 . .
C15 C16 C24 117.4(6) . .
C15 C16 C17 123.2(6) . .
C24 C16 C17 119.4(6) . .
C18 C17 C16 121.6(6) . .
C18 C17 H17 119.2 . .
C16 C17 H17 119.2 . .
C17 C18 C19 121.2(7) . .
C17 C18 H18 119.4 . .
C19 C18 H18 119.4 . .
C20 C19 C23 117.5(6) . .
C20 C19 C18 123.4(6) . .
C23 C19 C18 119.0(6) . .
C21 C20 C19 119.2(6) . .
C21 C20 H20 120.4 . .
C19 C20 H20 120.4 . .
C20 C21 C22 119.9(6) . .
C20 C21 H21 120.1 . .
C22 C21 H21 120.1 . .
N4 C22 C21 123.3(6) . .
N4 C22 H22 118.3 . .
C21 C22 H22 118.3 . .
N4 C23 C19 123.1(5) . .
N4 C23 C24 117.0(5) . .
C19 C23 C24 119.8(5) . .
N3 C24 C16 123.5(6) . .
N3 C24 C23 117.5(5) . .
C16 C24 C23 119.0(6) . .
O1 C25 O2 125.4(5) . .
O1 C25 C26 116.4(5) . .
O2 C25 C26 118.2(4) . .
C28 C26 C27 117.6(5) . .
C28 C26 C25 121.6(5) . .
C27 C26 C25 120.8(4) . .
C34 C27 C26 121.4(5) 1_655 .
C34 C27 H27 119.3 1_655 .
C26 C27 H27 119.3 . .
C26 C28 C35 120.9(5) . 1_655
C26 C28 H28 119.5 . .
C35 C28 H28 119.5 1_655 .
O4 C29 O3 125.5(4) . .
O4 C29 C30 117.0(4) . .
O3 C29 C30 117.4(4) . .
C31 C30 C32 120.1(4) . .
C31 C30 C29 116.7(4) . .
C32 C30 C29 123.0(4) . .
C30 C31 C32 122.5(5) . 2_566
C30 C31 H31 118.7 . .
C32 C31 H31 118.7 2_566 .
C31 C32 C30 117.4(4) 2_566 .
C31 C32 C33 118.9(4) 2_566 .
C30 C32 C33 123.6(4) . .
C35 C33 C34 117.7(5) . .
C35 C33 C32 120.6(4) . .
C34 C33 C32 121.7(4) . .
C27 C34 C33 120.8(5) 1_455 .
C27 C34 H34 119.6 1_455 .
C33 C34 H34 119.6 . .
C33 C35 C28 121.5(5) . 1_455
C33 C35 H35 119.2 . .
C28 C35 H35 119.2 1_455 .
O5 C36 O6 126.3(5) . .
O5 C36 C37 118.1(5) . .
O6 C36 C37 115.6(5) . .
C39 C37 C38 119.0(5) . .
C39 C37 C36 121.5(5) . .
C38 C37 C36 119.5(5) . .
C37 C38 C46 120.3(5) . 1_455
C37 C38 H38 119.9 . .
C46 C38 H38 119.9 1_455 .
C37 C39 C45 120.3(6) . 1_455
C37 C39 H39 119.8 . .
C45 C39 H39 119.8 1_455 .
O7 C40 O8 127.2(5) . .
O7 C40 C41 118.0(5) . .
O8 C40 C41 114.6(5) . .
C43 C41 C42 119.7(4) 2 .
C43 C41 C40 118.0(4) 2 .
C42 C41 C40 122.1(4) . .
C43 C42 C41 116.8(5) . .
C43 C42 C44 120.9(5) . .
C41 C42 C44 122.3(4) . .
C41 C43 C42 123.5(5) 2 .
C41 C43 H43 118.2 2 .
C42 C43 H43 118.2 . .
C45 C44 C46 117.7(5) . .
C45 C44 C42 121.0(5) . .
C46 C44 C42 121.3(5) . .
C44 C45 C39 121.4(5) . 1_655
C44 C45 H45 119.3 . .
C39 C45 H45 119.3 1_655 .
C44 C46 C38 121.2(5) . 1_655
C44 C46 H46 119.4 . .
C38 C46 H46 119.4 1_655 .
N5 C47 H47A 111.5 . .
N5 C47 H47B 111.7 . .
H47A C47 H47B 109.5 . .
N5 C47 H47C 105.2 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
N5 C48 H48A 107.2 . .
N5 C48 H48B 108.9 . .
H48A C48 H48B 109.5 . .
N5 C48 H48C 112.3 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
N5 C49 O9 147(7) . .
N5 C49 C50 108(4) . .
O9 C49 C50 104(5) . .
C49 C50 H50A 109.0 . .
C49 C50 H50B 109.3 . .
H50A C50 H50B 109.5 . .
C49 C50 H50C 110.1 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C1 N1 C12 117.4(7) . .
C1 N1 Mn1 125.2(5) . .
C12 N1 Mn1 117.2(5) . .
C11 N2 C10 116.7(7) . .
C11 N2 Mn1 119.7(6) . .
C10 N2 Mn1 123.6(5) . .
C13 N3 C24 117.0(5) . .
C13 N3 Mn2 126.1(5) . .
C24 N3 Mn2 116.8(4) . .
C22 N4 C23 116.9(5) . .
C22 N4 Mn2 124.5(4) . .
C23 N4 Mn2 118.5(4) . .
C49 N5 C48 161(6) . .
C49 N5 C47 95(4) . .
C48 N5 C47 104(4) . .
C25 O1 Mn1 146.0(4) . .
C25 O2 Mn2 119.7(3) . .
C29 O3 Mn1 118.1(3) . .
C29 O4 Mn2 149.4(3) . .
C36 O5 Mn1 136.1(4) . .
C36 O6 Mn2 129.0(4) . .
C40 O7 Mn2 140.2(4) . .
C40 O8 Mn1 125.6(4) . .
H10A O10 H10B 107.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O8 2.134(4) .
Mn1 O3 2.154(3) .
Mn1 O1 2.157(4) .
Mn1 O5 2.161(4) .
Mn1 N2 2.316(6) .
Mn1 N1 2.346(6) .
Mn2 O6 2.133(4) .
Mn2 O2 2.155(4) .
Mn2 O7 2.184(4) .
Mn2 O4 2.198(3) .
Mn2 N4 2.305(5) .
Mn2 N3 2.358(5) .
C1 N1 1.326(9) .
C1 C2 1.366(12) .
C1 H1 0.9300 .
C2 C3 1.411(14) .
C2 H2 0.9300 .
C3 C4 1.416(14) .
C3 H3 0.9300 .
C4 C5 1.360(14) .
C4 C12 1.374(11) .
C5 C6 1.382(15) .
C5 H5 0.9300 .
C6 C7 1.381(14) .
C6 H6 0.9300 .
C7 C11 1.391(10) .
C7 C8 1.420(14) .
C8 C9 1.417(15) .
C8 H8 0.9300 .
C9 C10 1.376(12) .
C9 H9 0.9300 .
C10 N2 1.382(10) .
C10 H10 0.9300 .
C11 N2 1.305(9) .
C11 C12 1.449(10) .
C12 N1 1.344(9) .
C13 N3 1.324(8) .
C13 C14 1.397(9) .
C13 H13 0.9300 .
C14 C15 1.351(10) .
C14 H14 0.9300 .
C15 C16 1.397(9) .
C15 H15 0.9300 .
C16 C24 1.405(8) .
C16 C17 1.426(10) .
C17 C18 1.340(10) .
C17 H17 0.9300 .
C18 C19 1.424(9) .
C18 H18 0.9300 .
C19 C20 1.399(10) .
C19 C23 1.409(8) .
C20 C21 1.352(9) .
C20 H20 0.9300 .
C21 C22 1.389(9) .
C21 H21 0.9300 .
C22 N4 1.335(8) .
C22 H22 0.9300 .
C23 N4 1.352(7) .
C23 C24 1.443(8) .
C24 N3 1.341(7) .
C25 O1 1.249(6) .
C25 O2 1.255(7) .
C25 C26 1.511(7) .
C26 C28 1.371(7) .
C26 C27 1.381(8) .
C27 C34 1.374(7) 1_655
C27 H27 0.9300 .
C28 C35 1.384(7) 1_655
C28 H28 0.9300 .
C29 O4 1.233(6) .
C29 O3 1.257(6) .
C29 C30 1.514(6) .
C30 C31 1.388(7) .
C30 C32 1.405(7) .
C31 C32 1.395(6) 2_566
C31 H31 0.9300 .
C32 C31 1.395(6) 2_566
C32 C33 1.496(7) .
C33 C35 1.365(7) .
C33 C34 1.385(7) .
C34 C27 1.374(7) 1_455
C34 H34 0.9300 .
C35 C28 1.384(7) 1_455
C35 H35 0.9300 .
C36 O5 1.240(7) .
C36 O6 1.253(7) .
C36 C37 1.507(7) .
C37 C39 1.354(8) .
C37 C38 1.382(8) .
C38 C46 1.383(8) 1_455
C38 H38 0.9300 .
C39 C45 1.399(8) 1_455
C39 H39 0.9300 .
C40 O7 1.235(7) .
C40 O8 1.240(7) .
C40 C41 1.517(7) .
C41 C43 1.370(7) 2
C41 C42 1.407(7) .
C42 C43 1.397(7) .
C42 C44 1.490(7) .
C43 C41 1.370(7) 2
C43 H43 0.9300 .
C44 C45 1.365(8) .
C44 C46 1.381(7) .
C45 C39 1.399(8) 1_655
C45 H45 0.9300 .
C46 C38 1.383(8) 1_655
C46 H46 0.9300 .
C47 N5 1.67(4) .
C47 H47A 0.9600 .
C47 H47B 0.9600 .
C47 H47C 0.9600 .
C48 N5 1.32(3) .
C48 H48A 0.9600 .
C48 H48B 0.9600 .
C48 H48C 0.9600 .
C49 N5 1.05(6) .
C49 O9 1.26(2) .
C49 C50 1.66(7) .
C50 H50A 0.9600 .
C50 H50B 0.9600 .
C50 H50C 0.9600 .
O10 H10A 0.8500 .
O10 H10B 0.8501 .
