Controllable synthesis of Co nanoparticles with the assistance of cucurbit[6]uril and its efficient photoelectrochemical catalysis in water splitting on a g-C3N4 photoanode
Dai, Xin; Jin, Xian-Yi; Gao, Rui-Han; Ge, Qing-Mei; Chen, Kai; Jiang, Nan; Cong, Hang; Tao, Zhu; Liu, Mao; New Journal of Chemistry 46 (2022) 6738–6746; doi:10.1039/D2NJ00036A

data_7061391
_publ_section_title
;
 Controllable synthesis of Co nanoparticles with the assistance of
 cucurbit[6]uril and its efficient photoelectrochemical catalysis in water
 splitting on a g-C3N4 photoanode
;
_journal_issue                   14
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              6738
_journal_page_last               6746
_journal_paper_doi               10.1039/D2NJ00036A
_journal_volume                  46
_journal_year                    2022
_chemical_formula_sum            'C36 H34 Cl4 Co2 N24 O22'
_chemical_formula_weight         1414.53
_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_Hall           'C 2y'
_space_group_name_H-M_alt        'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-09-22 deposited with the CCDC.	2022-03-07 downloaded from the CCDC.
;
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 122.265(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            2
_cell_length_a                   20.723(5)
_cell_length_b                   13.892(5)
_cell_length_c                   11.255(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2739.8(17)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0353
_diffrn_reflns_av_unetI/netI     0.0659
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6779
_diffrn_reflns_point_group_measured_fraction_full 0.951
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.871
_exptl_absorpt_coefficient_mu    0.902
_exptl_crystal_density_diffrn    1.715
_exptl_crystal_F_000             1432
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.367
_refine_diff_density_min         -1.623
_refine_diff_density_rms         0.228
_refine_ls_abs_structure_details
;
 Flack x determined using 1373 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.43(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     398
_refine_ls_number_reflns         4583
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.1720
_refine_ls_R_factor_gt           0.1539
_refine_ls_shift/su_max          1.495
_refine_ls_shift/su_mean         0.052
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+200.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3400
_refine_ls_wR_factor_ref         0.3481
_reflns_Friedel_coverage         0.852
_reflns_Friedel_fraction_full    0.917
_reflns_Friedel_fraction_max     0.917
_reflns_number_gt                3760
_reflns_number_total             4583
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2nj00036a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7061391.cif.'
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               7061391
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.877
_shelx_estimated_absorpt_t_max   0.915
_shelx_res_checksum              37592