Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures
Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan; CrystEngComm 18 (2016) 427–; doi:10.1039/C5CE01669J

data_7223489
_publ_section_title
;
 Syntheses, crystal structures and photocatalytic properties of four
 hybrid iodoargentates with zero- and two-dimensional structures
;
_journal_issue                   3
_journal_name_full               CrystEngComm
_journal_page_first              427
_journal_paper_doi               10.1039/C5CE01669J
_journal_volume                  18
_journal_year                    2016
_chemical_formula_sum            'C36 H24 Ag5 I7 Mn N6'
_chemical_formula_weight         2023.20
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-08-14 deposited with the CCDC.
2015-12-01 downloaded from the CCDC.
;
_cell_angle_alpha                76.7800(10)
_cell_angle_beta                 86.8430(10)
_cell_angle_gamma                60.3180(10)
_cell_formula_units_Z            4
_cell_length_a                   14.7523(14)
_cell_length_b                   14.7794(14)
_cell_length_c                   27.291(3)
_cell_measurement_temperature    296(2)
_cell_volume                     5020.6(9)
_computing_cell_refinement       'APEX2 Software Suite (Bruker,2005)'
_computing_data_collection       'APEX2 Software Suite (Bruker,2005)'
_computing_data_reduction        'APEX2 Software Suite (Bruker,2005)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Bruker SMART CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0343
_diffrn_reflns_av_sigmaI/netI    0.0502
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            57677
_diffrn_reflns_theta_full        27.60
_diffrn_reflns_theta_max         27.60
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    6.491
_exptl_absorpt_correction_T_max  0.4232
_exptl_absorpt_correction_T_min  0.3568
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    2.677
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3652
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         2.979
_refine_diff_density_min         -1.936
_refine_diff_density_rms         0.213
_refine_ls_extinction_coef       0
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     991
_refine_ls_number_reflns         22542
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0883
_refine_ls_R_factor_gt           0.0520
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0786P)^2^+26.4897P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1453
_refine_ls_wR_factor_ref         0.1623
_reflns_number_gt                14925
_reflns_number_total             22542
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce01669j2.cif
_cod_data_source_block           C36N6H24MnAg5I7
_cod_depositor_comments
'Adding full bibliography for 7223487--7223490.cif.'
_cod_original_cell_volume        5020.6(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7223489