Performance enhancement of oxygen evolution reaction through incorporating bimetallic electrocatalysts in two-dimensional metal‒organic frameworks
Yang, Chun; Cai, Wen-Jing; Yu, Bin-Bin; Qiu, Hong; Li, Meng-Li; Zhu, Lian-Wen; Yan, Zheng; Hou, Lei; Wang, Yao-Yu; Catalysis Science & Technology 10 (2020) 3897–3903; doi:10.1039/D0CY00567C

data_1558150
_publ_section_title
;
 Performance enhancement of oxygen evolution reaction through
 incorporating bimetallic electrocatalysts in two-dimensional
 metal--organic frameworks
;
_journal_issue                   12
_journal_name_full               'Catalysis Science &amp; Technology'
_journal_page_first              3897
_journal_page_last               3903
_journal_paper_doi               10.1039/D0CY00567C
_journal_volume                  10
_journal_year                    2020
_chemical_formula_sum            'C28 H24 Co0.79 Fe0.21 N2 O10 S2'
_chemical_formula_weight         670.89
_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'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-05-06 deposited with the CCDC.	2020-05-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.862(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.1868(4)
_cell_length_b                   12.2668(3)
_cell_length_c                   11.4817(2)
_cell_measurement_reflns_used    1353
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      72.2
_cell_measurement_theta_min      4.38
_cell_volume                     2839.64(10)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0205
_diffrn_reflns_av_unetI/netI     0.0265
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            5079
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         67.994
_diffrn_reflns_theta_min         4.219
_exptl_absorpt_coefficient_mu    6.556
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4959
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_description       block
_exptl_crystal_F_000             1379
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.220
_refine_diff_density_min         -0.249
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     196
_refine_ls_number_reflns         2543
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.0341
_refine_ls_R_factor_gt           0.0325
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0575P)^2^+1.9229P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0878
_refine_ls_wR_factor_ref         0.0892
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2431
_reflns_number_total             2543
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cy00567c2.cif
_cod_data_source_block           CoFe
_cod_depositor_comments
;Adding full bibliography for 1558149--1558151.cif.

 Adding full bibliography for 1558149--1558151.cif.
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1558150
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.440
_shelx_estimated_absorpt_t_max   0.560
_shelx_res_checksum              44071