Two tetranuclear 3d‒4f heterometal complexes Mn2Ln2 (Ln = Dy, Gd): synthesis, structure, magnetism, and electrocatalytic reactivity for water oxidation
Lan, Tian-Xiang; Gao, Wei-Song; Chen, Chang-Neng; Wang, Hui-Sheng; Wang, Mei; Fan, Yu-hua; New Journal of Chemistry 42 (2018) 5798–; doi:10.1039/C8NJ00149A

data_7057151
_publ_section_title
;
 Two tetranuclear 3d--4f heterometal complexes Mn2Ln2 (Ln = Dy, Gd):
 synthesis, structure, magnetism, and electrocatalytic reactivity for
 water oxidation
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              5798
_journal_paper_doi               10.1039/C8NJ00149A
_journal_volume                  42
_journal_year                    2018
_chemical_formula_sum            'C40 H52 Dy2 Mn2 N5 O24'
_chemical_formula_weight         1421.74
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-10-17 deposited with the CCDC.
2018-03-09 downloaded from the CCDC.
;
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_cell_measurement_theta_max      27.50
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_computing_cell_refinement       'Siemens SMART & SAINT'
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_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'S'Siemens SHELXTL'
_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      173(2)
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_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_Laue_measured_fraction_full 0.991
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_diffrn_reflns_point_group_measured_fraction_full 0.991
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_exptl_absorpt_coefficient_mu    3.504
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  .4253
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            red
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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^)+(0.0638P)^2^+26.2512P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                4550
_reflns_number_total             5745
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           w
_cod_depositor_comments
'Adding full bibliography for 7057151--7057152.cif.'
_cod_database_code               7057151
_shelx_shelxl_version_number     2014/7
_refine_ls_r_factor_ref          0.0798
_shelx_res_checksum              73488