Template syntheses of diverse haloargentates with reversible photochromism behaviors and efficient photocatalytic properties
Xue, Zhen-Zhen; Wang, A-Ni; Wei, Qi; Wei, Li; Han, Song-De; Pan, Jie; CrystEngComm 23 (2021) 1588–1595; doi:10.1039/D0CE01642J

data_7242022
_publ_section_title
;
 Template syntheses of diverse haloargentates with reversible
 photochromism behaviors and efficient photocatalytic properties
;
_journal_issue                   7
_journal_name_full               CrystEngComm
_journal_page_first              1588
_journal_page_last               1595
_journal_paper_doi               10.1039/D0CE01642J
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C7 H15 Ag2 I3 N4'
_chemical_formula_weight         751.67
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2020-09-24 deposited with the CCDC.	2021-01-06 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 111.815(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.7304(16)
_cell_length_b                   7.1624(8)
_cell_length_c                   11.7858(17)
_cell_measurement_reflns_used    1018
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.6960
_cell_measurement_theta_min      3.3530
_cell_volume                     762.6(2)
_computing_cell_refinement       'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'XtaLAB Mini (ROW)'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0229
_diffrn_reflns_av_sigmaI/netI    0.0368
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            2697
_diffrn_reflns_theta_full        25.19
_diffrn_reflns_theta_max         25.19
_diffrn_reflns_theta_min         3.40
_exptl_absorpt_coefficient_mu    8.623
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64802
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.274
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             676
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.908
_refine_diff_density_min         -1.222
_refine_diff_density_rms         0.164
_refine_ls_extinction_coef       0.0149(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     95
_refine_ls_number_reflns         1501
_refine_ls_number_restraints     78
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0361
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0508P)^2^+1.7615P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0937
_refine_ls_wR_factor_ref         0.1013
_reflns_number_gt                1240
_reflns_number_total             1501
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0ce01642j2.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7242021--7242023.cif.'
_cod_original_cell_volume        762.57(19)
_cod_original_sg_symbol_H-M      P2(1)/m
_cod_database_code               7242022