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_7023722
_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 I22 N16 O16 Pb3 Pr2'
_chemical_formula_sum            'C48 H112 Ag10 I22 N16 O16 Pb3 Pr2'
_chemical_formula_weight         5943.43
_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                63.475(8)
_cell_angle_beta                 65.854(8)
_cell_angle_gamma                67.779(9)
_cell_formula_units_Z            1
_cell_length_a                   14.4741(2)
_cell_length_b                   16.1113(2)
_cell_length_c                   17.5160(3)
_cell_measurement_reflns_used    15379
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      3.1
_cell_volume                     3237.9(3)
_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 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0760
_diffrn_reflns_av_sigmaI/netI    0.1159
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            26212
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    11.384
_exptl_absorpt_correction_T_max  0.3192
_exptl_absorpt_correction_T_min  0.0506
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.048
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2640
_exptl_crystal_size_max          0.65
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.13
_refine_diff_density_max         3.128
_refine_diff_density_min         -2.150
_refine_diff_density_rms         0.340
_refine_ls_extinction_coef       0.014(2)
_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   1.121
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         11804
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.120
_refine_ls_R_factor_all          0.0649
_refine_ls_R_factor_gt           0.0402
_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^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1448
_refine_ls_wR_factor_ref         0.1794
_reflns_number_gt                6925
_reflns_number_total             11804
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51829a.txt
_cod_data_source_block           shelxl
_cod_original_cell_volume        3237.9(4)
_cod_database_code               7023722