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_7229735
_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         'C64 H196 Ag22 Ce4 I34 O34 S32'
_chemical_formula_sum            'C64 H196 Ag22 Ce4 I34 O34 S32'
_chemical_formula_weight         9784.35
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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
;
2017-10-18 deposited with the CCDC.
2017-12-14 downloaded from the CCDC.
;
_cell_angle_alpha                97.120(6)
_cell_angle_beta                 101.3050(10)
_cell_angle_gamma                112.265(6)
_cell_formula_units_Z            1
_cell_length_a                   13.4179(16)
_cell_length_b                   16.9025(5)
_cell_length_c                   29.074(5)
_cell_measurement_reflns_used    17639
_cell_measurement_temperature    253(2)
_cell_measurement_theta_max      24.5
_cell_measurement_theta_min      3.0
_cell_volume                     5839.3(13)
_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 0.980
_diffrn_measured_fraction_theta_max 0.980
_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     0.71075
_diffrn_reflns_av_R_equivalents  0.0506
_diffrn_reflns_av_sigmaI/netI    0.0806
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            41389
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    7.380
_exptl_absorpt_correction_T_max  0.3200
_exptl_absorpt_correction_T_min  0.1359
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.782
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4432
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.730
_refine_diff_density_min         -1.228
_refine_diff_density_rms         0.270
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     622
_refine_ls_number_reflns         20961
_refine_ls_number_restraints     54
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0406
_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^)+(0.1294P)^2^+76.5163P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0935
_refine_ls_wR_factor_ref         0.1072
_reflns_number_gt                16369
_reflns_number_total             20961
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7ce01833a2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7229734--7229739.cif.'
_cod_original_cell_volume        5839.3(12)
_cod_database_code               7229735