#------------------------------------------------------------------------------
#$Date: 2019-11-23 15:56:39 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233910 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/60/7236098.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_7236098
loop_
_publ_author_name
'Seth, Soana'
'Savitha, Govardhan'
'Moorthy, Jarugu Narasimha'
_publ_section_title
;
 Diverse isostructural MOFs by postsynthetic metal node metathesis:
 anionic-to-cationic framework conversion, luminescence and separation of
 dyes
;
_journal_issue                   45
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              22915
_journal_paper_doi               10.1039/C5TA04551G
_journal_volume                  3
_journal_year                    2015
_chemical_formula_moiety         'C44 H30 Cd0.87 Mn0.63 O12'
_chemical_formula_sum            'C44 H30 Cd0.87 Mn0.63 O12'
_chemical_formula_weight         883.15
_chemical_name_systematic
3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/5
_audit_update_record
;
2015-02-06 deposited with the CCDC.
2015-10-01 downloaded from the CCDC.
;
_cell_angle_alpha                106.070(6)
_cell_angle_beta                 100.850(5)
_cell_angle_gamma                113.408(5)
_cell_formula_units_Z            2
_cell_length_a                   15.957(4)
_cell_length_b                   16.460(4)
_cell_length_c                   17.300(5)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     3770.9(17)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014/5 (Sheldrick, 2014)'
_computing_structure_solution    SHELX-97
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.914
_diffrn_measured_fraction_theta_max 0.790
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1099
_diffrn_reflns_av_unetI/netI     0.4132
_diffrn_reflns_Laue_measured_fraction_full 0.914
_diffrn_reflns_Laue_measured_fraction_max 0.790
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19658
_diffrn_reflns_point_group_measured_fraction_full 0.914
_diffrn_reflns_point_group_measured_fraction_max 0.790
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.249
_diffrn_reflns_theta_min         1.464
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.389
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.778
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             903
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.917
_refine_diff_density_min         -2.585
_refine_diff_density_rms         0.244
_refine_ls_extinction_coef       0.0000(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     527
_refine_ls_number_reflns         14714
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.131
_refine_ls_R_factor_all          0.2675
_refine_ls_R_factor_gt           0.1472
_refine_ls_shift/su_max          10.400
_refine_ls_shift/su_mean         0.020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1361P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3403
_refine_ls_wR_factor_ref         0.4010
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6205
_reflns_number_total             14714
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5ta04551g2.cif
_cod_data_source_block           Mn@MOF
_cod_database_code               7236098
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2014/5
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Mn1 Mn 0.74896(6) 0.59677(7) 0.57339(6) 0.0260(3) Uani 0.158(11) 1 d . . P
Cd1 Cd 0.74896(6) 0.59677(7) 0.57339(6) 0.0260(3) Uani 0.842(11) 1 d . . P
Mn2 Mn 0.5000 0.5000 0.5000 0.0350(11) Uani 0.942(12) 2 d S . P
Cd2 Cd 0.5000 0.5000 0.5000 0.0350(11) Uani 0.058(12) 2 d S . P
O1 O 0.6171(5) 0.5565(7) 0.6242(6) 0.042(2) Uani 1 1 d . . .
O2 O 0.7422(4) 0.7096(6) 0.6943(5) 0.037(2) Uani 1 1 d . . .
O3 O 0.6181(5) 0.5899(6) 1.4683(5) 0.039(2) Uani 1 1 d . . .
O4 O 0.7655(5) 0.7038(7) 1.5049(6) 0.051(3) Uani 1 1 d . . .
O5 O 0.5397(5) 1.3919(6) 1.4563(5) 0.038(2) Uani 1 1 d . . .
O6 O 0.7019(6) 1.4531(7) 1.4847(6) 0.053(3) Uani 1 1 d . . .
O7 O -0.1622(6) 0.5732(7) 0.6868(6) 0.047(2) Uani 1 1 d . . .
O8 O -0.0897(5) 0.6526(7) 0.6123(6) 0.045(2) Uani 1 1 d . . .
O9 O 0.2726(6) 0.7973(7) 1.0356(6) 0.051(3) Uani 1 1 d . . .
O10 O 0.5761(6) 0.8080(7) 1.0411(5) 0.042(2) Uani 1 1 d . . .
O11 O 0.4749(7) 0.9920(7) 1.1204(6) 0.052(3) Uani 1 1 d . . .
O12 O 0.4543(6) 0.7011(7) 1.1435(5) 0.042(2) Uani 1 1 d . . .
C8 C 0.4481(8) 0.7300(9) 0.9005(8) 0.035(3) Uani 1 1 d . . .
C9 C 0.3529(8) 0.7093(10) 0.8576(9) 0.046(4) Uani 1 1 d . . .
H9 H 0.3282 0.6793 0.7983 0.055 Uiso 1 1 calc R U .
C10 C 0.2935(8) 0.7322(9) 0.9011(8) 0.035(3) Uani 1 1 d . . .
C11 C 0.3287(7) 0.7738(9) 0.9868(8) 0.035(3) Uani 1 1 d . . .
C12 C 0.4234(7) 0.8001(9) 1.0368(8) 0.037(3) Uani 1 1 d . . .
C13 C 0.4811(7) 0.7771(9) 0.9915(7) 0.031(3) Uani 1 1 d . . .
C14 C 0.6010(9) 0.7289(13) 1.0405(10) 0.075(6) Uani 1 1 d . . .
H14A H 0.6468 0.7309 1.0112 0.112 Uiso 1 1 calc R U .
H14B H 0.5432 0.6678 1.0118 0.112 Uiso 1 1 calc R U .
H14C H 0.6289 0.7373 1.0983 0.112 Uiso 1 1 calc R U .
C15 C 0.2479(10) 0.8640(12) 1.0207(10) 0.063(5) Uani 1 1 d . . .
H15A H 0.3056 0.9216 1.0321 0.094 Uiso 1 1 calc R U .
H15B H 0.2132 0.8785 1.0575 0.094 Uiso 1 1 calc R U .
H15C H 0.2075 0.8385 0.9622 0.094 Uiso 1 1 calc R U .
C16 C 0.5647(11) 1.0519(11) 1.1056(10) 0.069(5) Uani 1 1 d . . .
H16A H 0.5491 1.0818 1.0688 0.103 Uiso 1 1 calc R U .
H16B H 0.5899 1.0117 1.0792 0.103 Uiso 1 1 calc R U .
H16C H 0.6125 1.1005 1.1593 0.103 Uiso 1 1 calc R U .
C17 C 0.3490(8) 0.6356(11) 1.1118(9) 0.053(4) Uani 1 1 d . . .
H17A H 0.3371 0.5787 1.1228 0.079 Uiso 1 1 calc R U .
H17B H 0.3235 0.6184 1.0515 0.079 Uiso 1 1 calc R U .
H17C H 0.3178 0.6672 1.1406 0.079 Uiso 1 1 calc R U .
C18 C 0.4628(7) 0.8492(9) 1.1307(8) 0.034(3) Uani 1 1 d . . .
C19 C 0.4815(7) 0.8030(9) 1.1859(8) 0.030(3) Uani 1 1 d . . .
C20 C 0.5327(8) 0.8504(10) 1.2695(8) 0.037(3) Uani 1 1 d . . .
C21 C 0.5613(9) 0.9463(10) 1.3061(9) 0.042(4) Uani 1 1 d . . .
H21 H 0.5957 0.9791 1.3644 0.051 Uiso 1 1 calc R U .
C22 C 0.5414(9) 0.9955(10) 1.2604(8) 0.039(3) Uani 1 1 d . . .
C23 C 0.4912(8) 0.9459(10) 1.1707(8) 0.037(3) Uani 1 1 d . . .
C24 C 0.5667(9) 0.8045(10) 1.3250(9) 0.043(4) Uani 1 1 d . . .
C25 C 0.5045(8) 0.7168(10) 1.3258(8) 0.040(3) Uani 1 1 d . . .
H25 H 0.4392 0.6868 1.2933 0.048 Uiso 1 1 calc R U .
C26 C 0.6370(7) 0.7137(9) 1.4170(8) 0.034(3) Uani 1 1 d . . .
C27 C 0.6989(9) 0.7975(11) 1.4099(9) 0.055(4) Uani 1 1 d . . .
H27 H 0.7654 0.8224 1.4345 0.065 Uiso 1 1 calc R U .
C28 C 0.6674(9) 0.8442(11) 1.3695(8) 0.048(4) Uani 1 1 d . . .
H28 H 0.7114 0.9026 1.3707 0.057 Uiso 1 1 calc R U .
C29 C 0.6728(9) 0.6692(11) 1.4634(9) 0.048(4) Uani 1 1 d . . .
C30 C 0.5607(8) 1.0945(10) 1.3007(9) 0.041(3) Uani 1 1 d . . .
C31 C 0.6536(9) 1.1647(12) 1.3635(9) 0.051(4) Uani 1 1 d . . .
H31 H 0.7029 1.1486 1.3751 0.061 Uiso 1 1 calc R U .
C32 C 0.6700(9) 1.2599(11) 1.4083(9) 0.046(3) Uani 1 1 d . . .
H32 H 0.7319 1.3072 1.4451 0.055 Uiso 1 1 calc R U .
C33 C 0.5966(9) 1.2816(10) 1.3978(8) 0.038(3) Uani 1 1 d . . .
C34 C 0.5072(10) 1.2103(12) 1.3365(10) 0.063(5) Uani 1 1 d . . .
H34 H 0.4563 1.2247 1.3281 0.076 Uiso 1 1 calc R U .
C35 C 0.4910(10) 1.1237(12) 1.2897(10) 0.055(4) Uani 1 1 d . . .
H35 H 0.4305 1.0810 1.2480 0.066 Uiso 1 1 calc R U .
C36 C 0.6114(8) 1.3803(10) 1.4468(9) 0.039(3) Uani 1 1 d . . .
C37 C 0.5072(8) 0.7098(10) 0.8519(9) 0.038(3) Uani 1 1 d . . .
C38 C 0.6015(8) 0.7790(10) 0.8656(9) 0.046(4) Uani 1 1 d . . .
H38 H 0.6308 0.8385 0.9108 0.055 Uiso 1 1 calc R U .
C39 C 0.6515(8) 0.7578(10) 0.8107(9) 0.037(3) Uani 1 1 d . . .
H39 H 0.7126 0.8042 0.8174 0.045 Uiso 1 1 calc R U .
C40 C 0.6064(8) 0.6626(10) 0.7436(9) 0.039(4) Uani 1 1 d . . .
C41 C 0.5176(9) 0.5989(12) 0.7342(9) 0.051(4) Uani 1 1 d . . .
H41 H 0.4909 0.5375 0.6922 0.061 Uiso 1 1 calc R U .
C42 C 0.4607(8) 0.6175(11) 0.7835(8) 0.038(3) Uani 1 1 d . . .
H42 H 0.3970 0.5724 0.7719 0.045 Uiso 1 1 calc R U .
C43 C 0.6591(8) 0.6454(12) 0.6860(9) 0.041(4) Uani 1 1 d . . .
C44 C -0.0834(9) 0.6220(12) 0.6762(9) 0.055(4) Uani 1 1 d . . .
C45 C 0.0095(9) 0.6509(11) 0.7327(10) 0.053(4) Uani 1 1 d . . .
C46 C 0.0933(9) 0.7004(12) 0.7189(9) 0.056(4) Uani 1 1 d . . .
H46 H 0.0890 0.7195 0.6732 0.067 Uiso 1 1 calc R U .
C47 C 0.1853(8) 0.7237(11) 0.7700(8) 0.053(4) Uani 1 1 d . . .
H47 H 0.2400 0.7555 0.7569 0.064 Uiso 1 1 calc R U .
C48 C 0.1947(8) 0.6985(10) 0.8419(8) 0.042(4) Uani 1 1 d . . .
C49 C 0.1113(8) 0.6603(11) 0.8660(8) 0.050(4) Uani 1 1 d . . .
H49 H 0.1171 0.6539 0.9183 0.060 Uiso 1 1 calc R U .
C50 C 0.0184(8) 0.6319(11) 0.8081(9) 0.052(4) Uani 1 1 d . . .
H50 H -0.0372 0.6004 0.8202 0.062 Uiso 1 1 calc R U .
C51 C 0.5368(9) 0.6715(10) 1.3743(8) 0.043(3) Uani 1 1 d . . .
H51 H 0.4932 0.6159 1.3776 0.052 Uiso 1 1 calc R U .
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'
Mn Mn 0.3368 0.7283 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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
O6 Mn1 O8 99.2(3) 1_544 1_655
O6 Mn1 O4 112.0(3) 1_544 1_554
O8 Mn1 O4 88.8(3) 1_655 1_554
O6 Mn1 O1 96.4(4) 1_544 .
O8 Mn1 O1 143.3(3) 1_655 .
O4 Mn1 O1 115.6(3) 1_554 .
O6 Mn1 O7 91.5(3) 1_544 1_655
O8 Mn1 O7 57.2(3) 1_655 1_655
O4 Mn1 O7 142.0(3) 1_554 1_655
O1 Mn1 O7 89.6(3) . 1_655
O6 Mn1 O2 152.1(3) 1_544 .
O8 Mn1 O2 99.5(3) 1_655 .
O4 Mn1 O2 88.9(3) 1_554 .
O1 Mn1 O2 56.8(3) . .
O7 Mn1 O2 81.6(3) 1_655 .
O6 Mn1 O3 84.2(3) 1_544 1_554
O8 Mn1 O3 140.0(3) 1_655 1_554
O4 Mn1 O3 54.1(3) 1_554 1_554
O1 Mn1 O3 74.4(3) . 1_554
O7 Mn1 O3 162.8(3) 1_655 1_554
O2 Mn1 O3 94.5(2) . 1_554
O5 Mn2 O5 180.0 2_677 1_544
O5 Mn2 O3 86.2(3) 2_677 2_667
O5 Mn2 O3 93.8(3) 1_544 2_667
O5 Mn2 O3 93.8(3) 2_677 1_554
O5 Mn2 O3 86.2(3) 1_544 1_554
O3 Mn2 O3 180.0 2_667 1_554
O5 Mn2 O1 93.1(3) 2_677 .
O5 Mn2 O1 86.9(3) 1_544 .
O3 Mn2 O1 97.3(3) 2_667 .
O3 Mn2 O1 82.7(3) 1_554 .
O5 Mn2 O1 86.9(3) 2_677 2_666
O5 Mn2 O1 93.1(3) 1_544 2_666
O3 Mn2 O1 82.7(3) 2_667 2_666
O3 Mn2 O1 97.3(3) 1_554 2_666
O1 Mn2 O1 180.0 . 2_666
C43 O1 Mn2 126.4(6) . .
C43 O1 Mn1 92.0(5) . .
Mn2 O1 Mn1 97.4(3) . .
C43 O2 Mn1 90.4(8) . .
C29 O3 Cd2 153.4(8) . 1_556
C29 O3 Mn2 153.4(8) . 1_556
Cd2 O3 Mn2 0.0 1_556 1_556
C29 O3 Mn1 94.1(6) . 1_556
Cd2 O3 Mn1 96.9(3) 1_556 1_556
Mn2 O3 Mn1 96.9(3) 1_556 1_556
C29 O3 Cd1 94.1(6) . 1_556
Cd2 O3 Cd1 96.9(3) 1_556 1_556
Mn2 O3 Cd1 96.9(3) 1_556 1_556
Mn1 O3 Cd1 0.00(4) 1_556 1_556
C29 O4 Cd1 97.9(6) . 1_556
C29 O4 Mn1 97.9(6) . 1_556
Cd1 O4 Mn1 0.0 1_556 1_556
C36 O5 Cd2 142.0(8) . 1_566
C36 O5 Mn2 142.0(8) . 1_566
Cd2 O5 Mn2 0.0 1_566 1_566
C36 O6 Cd1 127.7(8) . 1_566
C36 O6 Mn1 127.7(8) . 1_566
Cd1 O6 Mn1 0.0 1_566 1_566
C44 O7 Cd1 89.7(7) . 1_455
C44 O7 Mn1 89.7(7) . 1_455
Cd1 O7 Mn1 0.0 1_455 1_455
C44 O8 Cd1 95.4(6) . 1_455
C44 O8 Mn1 95.4(6) . 1_455
Cd1 O8 Mn1 0.0 1_455 1_455
C15 O9 C11 114.1(9) . .
C13 O10 C14 114.9(10) . .
C23 O11 C16 112.7(9) . .
C19 O12 C17 114.1(9) . .
C9 C8 C13 115.3(9) . .
C9 C8 C37 120.1(11) . .
C13 C8 C37 124.5(10) . .
C8 C9 C10 122.8(12) . .
C11 C10 C9 118.3(10) . .
C11 C10 C48 129.0(10) . .
C9 C10 C48 112.5(12) . .
C10 C11 C12 124.2(11) . .
C10 C11 O9 121.9(9) . .
C12 C11 O9 114.0(11) . .
C11 C12 C13 116.0(11) . .
C11 C12 C18 123.8(10) . .
C13 C12 C18 120.1(9) . .
O10 C13 C12 115.5(10) . .
O10 C13 C8 121.1(9) . .
C12 C13 C8 123.3(9) . .
C23 C18 C19 115.7(11) . .
C23 C18 C12 121.4(9) . .
C19 C18 C12 122.7(11) . .
C20 C19 C18 123.4(12) . .
C20 C19 O12 120.0(9) . .
C18 C19 O12 116.0(10) . .
C19 C20 C21 118.6(11) . .
C19 C20 C24 123.3(12) . .
C21 C20 C24 117.9(11) . .
C22 C21 C20 122.4(13) . .
C21 C22 C23 118.8(12) . .
C21 C22 C30 122.5(12) . .
C23 C22 C30 118.4(10) . .
O11 C23 C18 117.3(11) . .
O11 C23 C22 121.8(12) . .
C18 C23 C22 120.8(10) . .
C25 C24 C28 117.1(10) . .
C25 C24 C20 122.5(10) . .
C28 C24 C20 119.8(10) . .
C24 C25 C51 122.8(11) . .
C27 C26 C51 118.6(10) . .
C27 C26 C29 121.8(10) . .
C51 C26 C29 119.6(11) . .
C28 C27 C26 123.5(11) . .
C27 C28 C24 120.0(12) . .
O3 C29 O4 113.2(9) . .
O3 C29 C26 123.3(11) . .
O4 C29 C26 123.4(11) . .
C35 C30 C31 116.3(14) . .
C35 C30 C22 123.9(13) . .
C31 C30 C22 119.4(11) . .
C30 C31 C32 119.5(11) . .
C33 C32 C31 120.7(13) . .
C32 C33 C34 117.3(14) . .
C32 C33 C36 121.6(12) . .
C34 C33 C36 121.0(11) . .
C35 C34 C33 123.6(13) . .
C34 C35 C30 122.2(14) . .
O5 C36 O6 121.1(12) . .
O5 C36 C33 120.1(11) . .
O6 C36 C33 118.7(10) . .
C38 C37 C42 121.3(12) . .
C38 C37 C8 122.6(14) . .
C42 C37 C8 115.8(11) . .
C37 C38 C39 119.8(14) . .
C38 C39 C40 119.1(11) . .
C41 C40 C39 118.9(12) . .
C41 C40 C43 123.9(15) . .
C39 C40 C43 117.1(11) . .
C40 C41 C42 124.9(15) . .
C41 C42 C37 115.8(12) . .
O2 C43 O1 120.7(10) . .
O2 C43 C40 122.5(15) . .
O1 C43 C40 116.8(11) . .
O7 C44 O8 117.6(10) . .
O7 C44 C45 122.9(12) . .
O8 C44 C45 119.4(11) . .
O7 C44 Cd1 62.4(6) . 1_455
O8 C44 Cd1 55.3(5) . 1_455
C45 C44 Cd1 171.0(12) . 1_455
C46 C45 C50 117.4(11) . .
C46 C45 C44 122.2(12) . .
C50 C45 C44 120.3(11) . .
C45 C46 C47 123.4(11) . .
C46 C47 C48 119.7(10) . .
C47 C48 C49 118.6(9) . .
C47 C48 C10 119.3(10) . .
C49 C48 C10 120.7(10) . .
C48 C49 C50 118.5(10) . .
C45 C50 C49 121.3(10) . .
C26 C51 C25 117.6(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O6 2.158(10) 1_544
Mn1 O8 2.247(7) 1_655
Mn1 O4 2.341(9) 1_554
Mn1 O1 2.357(7) .
Mn1 O7 2.413(7) 1_655
Mn1 O2 2.434(9) .
Mn1 O3 2.439(7) 1_554
Mn2 O5 2.115(8) 2_677
Mn2 O5 2.115(8) 1_544
Mn2 O3 2.160(7) 2_667
Mn2 O3 2.160(7) 1_554
Mn2 O1 2.230(9) .
Mn2 O1 2.230(9) 2_666
O1 C43 1.348(16) .
O2 C43 1.276(13) .
O3 C29 1.287(14) .
O3 Cd2 2.160(7) 1_556
O3 Mn2 2.160(7) 1_556
O3 Mn1 2.439(7) 1_556
O3 Cd1 2.439(7) 1_556
O4 C29 1.316(14) .
O4 Cd1 2.341(9) 1_556
O4 Mn1 2.341(9) 1_556
O5 C36 1.266(12) .
O5 Cd2 2.115(8) 1_566
O5 Mn2 2.115(8) 1_566
O6 C36 1.335(15) .
O6 Cd1 2.158(10) 1_566
O6 Mn1 2.158(10) 1_566
O7 C44 1.274(14) .
O7 Cd1 2.413(7) 1_455
O7 Mn1 2.413(7) 1_455
O8 C44 1.338(15) .
O8 Cd1 2.247(7) 1_455
O8 Mn1 2.247(7) 1_455
O9 C15 1.375(15) .
O9 C11 1.430(14) .
O10 C13 1.396(12) .
O10 C14 1.504(17) .
O11 C23 1.356(11) .
O11 C16 1.498(16) .
O12 C19 1.470(14) .
O12 C17 1.473(14) .
C8 C9 1.413(14) .
C8 C13 1.430(16) .
C8 C37 1.449(16) .
C9 C10 1.414(16) .
C10 C11 1.343(17) .
C10 C48 1.492(15) .
C11 C12 1.413(13) .
C12 C13 1.411(15) .
C12 C18 1.474(18) .
C18 C23 1.383(17) .
C18 C19 1.434(12) .
C19 C20 1.339(17) .
C20 C21 1.367(18) .
C20 C24 1.523(14) .
C21 C22 1.359(14) .
C22 C23 1.423(18) .
C22 C30 1.459(18) .
C24 C25 1.394(16) .
C24 C28 1.422(16) .
C25 C51 1.418(15) .
C26 C27 1.397(16) .
C26 C51 1.405(15) .
C26 C29 1.412(13) .
C27 C28 1.343(15) .
C30 C35 1.379(16) .
C30 C31 1.43(2) .
C31 C32 1.431(19) .
C32 C33 1.350(15) .
C33 C34 1.395(19) .
C33 C36 1.507(18) .
C34 C35 1.32(2) .
C37 C38 1.403(16) .
C37 C42 1.428(18) .
C38 C39 1.410(16) .
C39 C40 1.450(18) .
C40 C41 1.331(17) .
C40 C43 1.459(16) .
C41 C42 1.419(16) .
C44 C45 1.420(17) .
C44 Cd1 2.722(12) 1_455
C45 C46 1.369(16) .
C45 C50 1.417(16) .
C46 C47 1.400(15) .
C47 C48 1.416(15) .
C48 C49 1.424(15) .
C49 C50 1.433(15) .
