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_4328356
_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         'C16 H54 N12 O2 Y2, S6 Sn2 '
_chemical_formula_sum            'C16 H54 N12 O2 S6 Sn2 Y2'
_chemical_formula_weight         1054.37
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.978(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.854(8)
_cell_length_b                   11.449(7)
_cell_length_c                   13.803(9)
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.09
_cell_measurement_theta_min      2.12
_cell_volume                     1855(2)
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0742
_diffrn_reflns_av_sigmaI/netI    0.0813
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9636
_diffrn_reflns_theta_full        25.09
_diffrn_reflns_theta_max         25.09
_diffrn_reflns_theta_min         2.12
_exptl_absorpt_coefficient_mu    4.800
_exptl_absorpt_correction_T_max  0.5139
_exptl_absorpt_correction_T_min  0.4322
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.888
_exptl_crystal_description       block
_exptl_crystal_F_000             1048
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.092
_refine_diff_density_min         -1.684
_refine_diff_density_rms         0.210
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     181
_refine_ls_number_reflns         3306
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0441
_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^)+(0.0593P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1100
_refine_ls_wR_factor_ref         0.1133
_reflns_number_gt                2714
_reflns_number_total             3306
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2023083_si_002_1.cif
_cod_data_source_block           1
_cod_original_sg_symbol_Hall     '-P 2yn '
_cod_original_formula_sum        'C16 H54 N12 O2 S6 Sn2 Y2 '
_cod_database_code               4328356