Self-photoreduced Ag0-doped Ag(i)–organic frameworks with efficient visible-light-driven photocatalytic performance
Liu, Bo; Lv, Mengying; Jiang, Wei; Gao, Baihui; Li, Yuxin; Zhou, Shi; Wang, Dandan; Liu, Chunbo; Che, Guangbo; CrystEngComm 23 (2021) 7496–7501; doi:10.1039/D1CE01133B

data_7243741
_publ_section_title
;
 Self-photoreduced Ag0-doped Ag(i)--organic frameworks with efficient
 visible-light-driven photocatalytic performance
;
_journal_issue                   42
_journal_name_full               CrystEngComm
_journal_page_first              7496
_journal_page_last               7501
_journal_paper_doi               10.1039/D1CE01133B
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'C42 H43 Ag3 N6 O8'
_chemical_formula_sum            'C42 H43 Ag3 N6 O8'
_chemical_formula_weight         1083.43
_chemical_name_systematic        JLNU-91
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-08-17 deposited with the CCDC.	2021-09-20 downloaded from the CCDC.
;
_cell_angle_alpha                75.894(6)
_cell_angle_beta                 84.943(7)
_cell_angle_gamma                69.928(8)
_cell_formula_units_Z            1
_cell_length_a                   9.702(5)
_cell_length_b                   10.763(5)
_cell_length_c                   11.435(5)
_cell_measurement_reflns_used    5937
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      0.846
_cell_measurement_theta_min      0.846
_cell_volume                     1087.7(9)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker XSCANS'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0204
_diffrn_reflns_av_unetI/netI     0.0394
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7266
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.216
_diffrn_reflns_theta_min         1.836
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.394
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.654
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             542
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   0.7455
_exptl_transmission_factor_min   0.4719
_refine_diff_density_max         1.815
_refine_diff_density_min         -0.936
_refine_diff_density_rms         0.115
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.37(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     395
_refine_ls_number_reflns         5937
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0421
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0842P)^2^+0.2529P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1194
_refine_ls_wR_factor_ref         0.1225
_reflns_Friedel_coverage         1.000
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.987
_reflns_number_gt                5401
_reflns_number_total             5937
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ce01133b2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7243741.cif.'
_cod_database_code               7243741
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              87037
_shelx_hkl_checksum              75853
_shelx_fab_checksum              17627