Complexation of Sn2Se6 with lanthanide(III) centers influenced by ethylene polyamines: Solvothermal syntheses, crystal structures, and optical properties of lanthanide selenidostannates
Tang, Chunying; Wang, Fang; Chen, Ruihong; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian; Journal of Solid State Chemistry 204 (2013) 70–77; doi:10.1016/j.jssc.2013.05.008

data_1562587
_publ_section_title
;
 Complexation of Sn2Se6 with lanthanide(III) centers influenced by
 ethylene polyamines: Solvothermal syntheses, crystal structures, and
 optical properties of lanthanide selenidostannates
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              70
_journal_page_last               77
_journal_paper_doi               10.1016/j.jssc.2013.05.008
_journal_volume                  204
_journal_year                    2013
_chemical_formula_moiety         'C36 H110 N24 Nd2 Se12 Sn4'
_chemical_formula_sum            'C36 H110 N24 Nd2 Se12 Sn4'
_chemical_formula_weight         2590.24
_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
_cell_angle_alpha                90.065(3)
_cell_angle_beta                 92.532(3)
_cell_angle_gamma                94.511(3)
_cell_formula_units_Z            1
_cell_length_a                   9.8417(10)
_cell_length_b                   10.5781(10)
_cell_length_c                   18.0800(18)
_cell_measurement_reflns_used    8712
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      25.5
_cell_measurement_theta_min      3.1
_cell_volume                     1874.6(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 0.992
_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  0.0347
_diffrn_reflns_av_sigmaI/netI    0.0546
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            16127
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.12
_exptl_absorpt_coefficient_mu    8.541
_exptl_absorpt_correction_T_max  0.3246
_exptl_absorpt_correction_T_min  0.2799
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.295
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1222
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.846
_refine_diff_density_min         -0.826
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.968
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         6911
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      0.968
_refine_ls_R_factor_all          0.0379
_refine_ls_R_factor_gt           0.0285
_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^)+(0.0233P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0542
_refine_ls_wR_factor_ref         0.0568
_reflns_number_gt                5535
_reflns_number_total             6911
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2013-204-70.cif
_cod_data_source_block           complex_4
_cod_database_code               1562587