Modular and Stepwise Synthesis of a Hybrid Metal-Organic Framework for Efficient Electrocatalytic Oxygen Evolution.
Shen, Jian-Qiang; Liao, Pei-Qin; Zhou, Dong-Dong; He, Chun-Ting; Wu, Jun-Xi; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming; Journal of the American Chemical Society 139 (2017) 1778–1781; doi:10.1021/jacs.6b12353

data_4125448
_publ_section_title
;
 Modular and Stepwise Synthesis of a Hybrid Metal-Organic Framework for
 Efficient Electrocatalytic Oxygen Evolution.
;
_journal_issue                   5
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1778
_journal_page_last               1781
_journal_paper_doi               10.1021/jacs.6b12353
_journal_volume                  139
_journal_year                    2017
_chemical_formula_sum            'C84 H56 Co9 N6 O41'
_chemical_formula_weight         2335.71
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      cubic
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_space_group_name_Hall           '-F 4 2 3'
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_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
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_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
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_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'multiwire proportional'
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_diffrn_reflns_theta_max         77.955
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_exptl_absorpt_coefficient_mu    6.783
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_exptl_crystal_description       block
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_refine_diff_density_min         -0.820
_refine_diff_density_rms         0.166
_refine_ls_extinction_coef       0.000046(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         3715
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0673
_refine_ls_R_factor_gt           0.0627
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.1390P)^2^+320.0000P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1965
_refine_ls_wR_factor_ref         0.2010
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3300
_reflns_number_total             3715
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja6b12353_si_002.cif
_cod_data_source_block           Co3-Co2
_cod_depositor_comments
'Adding full bibliography for 4125446--4125448.cif.'
_cod_original_cell_volume        71632.6(10)
_cod_database_code               4125448
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