Synthesis and Characterization of Aluminum-Containing Tin(IV) Heterobimetallic Sulfides
Yang, Zhi; Ma, Xiaoli; Jancik, Vojtech; Zhang, Zhensheng; Roesky, Herbert W.; Magull, Jörg; Noltemeyer, Mathias; Schmidt, Hans-Georg; Cea-Olivares, Raymundo; Toscano, Rubén A.; Inorganic Chemistry 45 (2006) 3312–3315; doi:10.1021/ic052139m

data_4332075
_publ_section_title
;
 Synthesis and Characterization of Aluminum-Containing Tin(IV)
 Heterobimetallic Sulfides
;
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3312
_journal_page_last               3315
_journal_paper_doi               10.1021/ic052139m
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C38 H55 Al N2 S2 Sn'
_chemical_formula_weight         749.64
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                79.57(3)
_cell_angle_beta                 75.42(3)
_cell_angle_gamma                87.69(3)
_cell_formula_units_Z            2
_cell_length_a                   8.8077(18)
_cell_length_b                   13.280(3)
_cell_length_c                   17.283(4)
_cell_measurement_temperature    133(2)
_cell_volume                     1924.1(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0576
_diffrn_reflns_av_sigmaI/netI    0.0333
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            34091
_diffrn_reflns_theta_full        24.84
_diffrn_reflns_theta_max         24.84
_diffrn_reflns_theta_min         1.56
_exptl_absorpt_coefficient_mu    0.823
_exptl_crystal_density_diffrn    1.294
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             784
_refine_diff_density_max         0.350
_refine_diff_density_min         -0.447
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     410
_refine_ls_number_reflns         6640
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0352
_refine_ls_R_factor_gt           0.0274
_refine_ls_shift/su_max          2.769
_refine_ls_shift/su_mean         0.029
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0403P)^2^+0.4106P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0677
_refine_ls_wR_factor_ref         0.0700
_reflns_number_gt                5694
_reflns_number_total             6640
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic052139msup3.cif
_cod_data_source_block           yang1
_cod_original_cell_volume        1924.1(7)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C19 H27.50 Al0.50 N S Sn0.50'
_cod_database_code               4332075