Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties
Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian; CrystEngComm 20 (2018) 520–; doi:10.1039/C7CE01833A

data_7229736
_publ_section_title
;
 Iodoargentates from clusters to 1D chains and 2D layers induced by
 solvated lanthanide complex cations: syntheses, crystal structures, and
 photoluminescence properties
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              520
_journal_paper_doi               10.1039/C7CE01833A
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety         'C16 H48 Ag7 I10 O8 S8 Tb'
_chemical_formula_sum            'C16 H48 Ag7 I10 O8 S8 Tb'
_chemical_formula_weight         2808.03
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-10-18 deposited with the CCDC.
2017-12-14 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 99.67(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.436(3)
_cell_length_b                   23.390(5)
_cell_length_c                   21.007(4)
_cell_measurement_reflns_used    14247
_cell_measurement_temperature    253(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      3.0770
_cell_volume                     6024(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      253(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_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  0.0647
_diffrn_reflns_av_sigmaI/netI    0.0529
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            58481
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.08
_exptl_absorpt_coefficient_mu    8.815
_exptl_absorpt_correction_T_max  0.4726
_exptl_absorpt_correction_T_min  0.1192
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    3.096
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             5040
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.761
_refine_diff_density_min         -1.581
_refine_diff_density_rms         0.251
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.150
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     488
_refine_ls_number_reflns         10990
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.150
_refine_ls_R_factor_all          0.0607
_refine_ls_R_factor_gt           0.0403
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0554P)^2^+96.2507P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0895
_refine_ls_wR_factor_ref         0.1097
_reflns_number_gt                8621
_reflns_number_total             10990
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7ce01833a2.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7229734--7229739.cif.'
_cod_database_code               7229736