Tetranuclear Mn<sup>II</sup>, Co<sup>II</sup>, Cu<sup>II</sup> and Zn<sup>II</sup> grid complexes of an unsymmetrical ditopic ligand: synthesis, structure, redox and magnetic properties.
Lakma, Avinash; Hossain, Sayed Muktar; van Leusen, Jan; Kögerler, Paul; Singh, Akhilesh Kumar; Dalton transactions (Cambridge, England : 2003) 48 (2019) 7766–7777; doi:10.1039/c9dt01041f

data_7049795
_publ_section_title
;
 Tetranuclear Mn<sup>II</sup>, Co<sup>II</sup>, Cu<sup>II</sup> and
 Zn<sup>II</sup> grid complexes of an unsymmetrical ditopic ligand:
 synthesis, structure, redox and magnetic properties.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7766
_journal_page_last               7777
_journal_paper_doi               10.1039/c9dt01041f
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C66 H52 Mn4 N13 O16'
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_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_symmetry_space_group_name_Hall  'P 2c -2n'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2018-01-10 deposited with the CCDC.    2019-04-23 downloaded from the CCDC.
;
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_cell_angle_beta                 90
_cell_angle_gamma                90
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_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      110(2)
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_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2041
_diffrn_reflns_av_unetI/netI     0.1277
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.988
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_diffrn_reflns_limit_h_min       -28
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_diffrn_reflns_limit_l_min       -31
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   empirical
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.580
_exptl_crystal_description       Block
_exptl_crystal_F_000             3068
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;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.09(2)
_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0426P)^2^+3.1194P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0925
_refine_ls_wR_factor_ref         0.1166
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_reflns_Friedel_fraction_max     0.988
_reflns_number_gt                8861
_reflns_number_total             15875
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt01041f2.cif
_cod_data_source_block           Mn_grid
_cod_depositor_comments
'Adding full bibliography for 7049795--7049798.cif.'
_cod_database_code               7049795
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