Polymeric heterometallic Pb-Ag iodometallates, iodoplumbates and iodoargentates with lanthanide complex cations as templates.
Fang, Wang; Tang, Chunying; Chen, Ruihong; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong; Dalton transactions (Cambridge, England : 2003) 42 (2013) 15150–15158; doi:10.1039/c3dt51829a

data_7023721
_publ_section_title
;
 Polymeric heterometallic Pb-Ag iodometallates, iodoplumbates and
 iodoargentates with lanthanide complex cations as templates.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15150
_journal_page_last               15158
_journal_paper_doi               10.1039/c3dt51829a
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C48 H112 Ag10 Ce2 I22 N16 O16 Pb3'
_chemical_formula_sum            'C48 H112 Ag10 Ce2 I22 N16 O16 Pb3'
_chemical_formula_weight         5941.85
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_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
_cell_angle_alpha                63.580(12)
_cell_angle_beta                 65.749(13)
_cell_angle_gamma                67.815(13)
_cell_formula_units_Z            1
_cell_length_a                   14.57220(10)
_cell_length_b                   16.086(9)
_cell_length_c                   17.4521(3)
_cell_measurement_reflns_used    15796
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      3.1
_cell_volume                     3243.9(19)
_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      223(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0437
_diffrn_reflns_av_sigmaI/netI    0.0683
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            26571
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    11.314
_exptl_absorpt_correction_T_max  0.2817
_exptl_absorpt_correction_T_min  0.2106
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    3.042
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2638
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.193
_refine_diff_density_min         -1.244
_refine_diff_density_rms         0.219
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     522
_refine_ls_number_reflns         11984
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.0550
_refine_ls_R_factor_gt           0.0398
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1258
_refine_ls_wR_factor_ref         0.1534
_reflns_number_gt                8847
_reflns_number_total             11984
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51829a.txt
_cod_data_source_block           shelxl
_cod_database_code               7023721