Solvothermal Synthesis and Characterization of a Series of Lanthanide Thiostannates(IV): The First Examples of Inorganic-Organic Hybrid Cationic Lanthanide Thiostannates(IV)
Jian Zhou; Xing Liu; Litao An; Feilong Hu; Wenbin Yan; Yunyan Zhang; Inorganic Chemistry 51 (2012) 2283–2290; doi:10.1021/ic2023083

data_4328358
_publ_section_title
;
 Solvothermal Synthesis and Characterization of a Series of Lanthanide
 Thiostannates(IV): The First Examples of Inorganic-Organic Hybrid
 Cationic Lanthanide Thiostannates(IV)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2283
_journal_page_last               2290
_journal_paper_doi               10.1021/ic2023083
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety
'C24 H72 N16 S6 Sm2 Sn2, 2(C6 H19 N4), S6 Sn2 '
_chemical_formula_sum            'C36 H110 N24 S12 Sm2 Sn4'
_chemical_formula_weight         2039.63
_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                89.91(3)
_cell_angle_beta                 88.07(3)
_cell_angle_gamma                85.23(3)
_cell_formula_units_Z            1
_cell_length_a                   9.920(2)
_cell_length_b                   10.382(2)
_cell_length_c                   17.520(4)
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.10
_cell_measurement_theta_min      1.97
_cell_volume                     1797.1(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Rigaku Mercury'
_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  0.0190
_diffrn_reflns_av_sigmaI/netI    0.0327
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9771
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.97
_exptl_absorpt_coefficient_mu    3.371
_exptl_absorpt_correction_T_max  0.6916
_exptl_absorpt_correction_T_min  0.1542
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.877
_exptl_crystal_description       block
_exptl_crystal_F_000             1002
_exptl_crystal_size_max          0.90
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.487
_refine_diff_density_min         -1.385
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         6292
_refine_ls_number_restraints     588
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0290
_refine_ls_shift/su_max          0.026
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0493P)^2^+3.1802P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0857
_refine_ls_wR_factor_ref         0.0878
_reflns_number_gt                5808
_reflns_number_total             6292
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2023083_si_002_3.cif
_cod_data_source_block           3
_cod_original_formula_sum        'C36 H110 N24 S12 Sm2 Sn4 '
_cod_database_code               4328358