A 3D Neutral Chalcogenide Framework Built from Supertetrahedral T3 Cluster and Metal Complex for Electrocatalytic Oxygen Reduction Reaction.
Zhang, Yingying; Hu, Dandan; Xue, Chaozhuang; Yang, Huajun; Wang, Xiang; Wu, Tao; Dalton Transactions  (2018) –; doi:10.1039/C7DT04891B

data_7045499
_publ_section_title
;
 A 3D Neutral Chalcogenide Framework Built from Supertetrahedral T3
 Cluster and Metal Complex for Electrocatalytic Oxygen Reduction Reaction.
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/C7DT04891B
_journal_year                    2018
_chemical_formula_moiety         'C48 H112 Ga4 Mn6 N16 S20 Sn4'
_chemical_formula_sum            'C48 H112 Ga4 Mn6 N16 S20 Sn4'
_chemical_formula_weight         2638.10
_space_group_crystal_system      tetragonal
_space_group_IT_number           88
_space_group_name_Hall           '-I 4ad'
_space_group_name_H-M_alt        'I 41/a'
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-01-17 deposited with the CCDC.
2018-01-31 downloaded from the CCDC.
;
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_cell_measurement_theta_min      3.5190
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_diffrn_ambient_temperature      296(2)
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_diffrn_measurement_device_type  Agilent
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_point_group_measured_fraction_full 0.997
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_exptl_absorpt_correction_T_min  0.510
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Higashi, T.(1995).'
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_refine_ls_R_factor_all          0.0730
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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^)+(0.0317P)^2^+58.4361P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1084
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_reflns_number_gt                3436
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_reflns_threshold_expression     'I > 2\s(I)'
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