Enhanced Electrocatalytic Oxygen Evolution by Exfoliation of a Metal‒Organic Framework Containing Cationic One-Dimensional [Co4(OH)2]6+ Chains
Song, Xueling; Peng, Chengdong; Fei, Honghan; ACS Applied Energy Materials 1 (2018) 2446–; doi:10.1021/acsaem.8b00659

data_4515262
_publ_section_title
;
 Enhanced Electrocatalytic Oxygen Evolution by Exfoliation of a
 Metal--Organic Framework Containing Cationic One-Dimensional [Co4(OH)2]6+
 Chains
;
_journal_issue                   6
_journal_name_full               'ACS Applied Energy Materials'
_journal_page_first              2446
_journal_paper_doi               10.1021/acsaem.8b00659
_journal_volume                  1
_journal_year                    2018
_chemical_formula_sum            'C15 H20 Co4 O14'
_chemical_formula_weight         660.03
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                79.374(2)
_cell_angle_beta                 86.9600(10)
_cell_angle_gamma                84.946(2)
_cell_formula_units_Z            2
_cell_length_a                   4.9245(2)
_cell_length_b                   10.6166(5)
_cell_length_c                   18.9713(8)
_cell_measurement_reflns_used    4478
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.56
_cell_measurement_theta_min      3.188
_cell_volume                     970.36(7)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0444
_diffrn_reflns_av_unetI/netI     0.0497
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            4478
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.566
_diffrn_reflns_theta_min         3.188
_exptl_absorpt_coefficient_mu    3.438
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    2.259
_exptl_crystal_description       block
_exptl_crystal_F_000             660
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.060
_refine_diff_density_max         2.047
_refine_diff_density_min         -0.872
_refine_diff_density_rms         0.183
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     302
_refine_ls_number_reflns         4478
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0752
_refine_ls_R_factor_gt           0.0537
_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^)+(0.0778P)^2^+4.3941P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1333
_refine_ls_wR_factor_ref         0.1482
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3486
_reflns_number_total             4478
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ae8b00659_si_002.cif
_cod_data_source_block           171207a_a
_cod_database_code               4515262
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.609
_shelx_estimated_absorpt_t_max   0.820
_shelx_res_checksum              78642
_shelx_hkl_checksum              78130