A Kinetically Stabilized Stannanetellone, a Tin−Tellurium Double-Bonded Compound
Tajima, Tomoyuki; Takeda, Nobuhiro; Sasamori, Takahiro; Tokitoh, Norihiro; Organometallics 25 (2006) 3552–; doi:10.1021/om0604627

data_4074206
_publ_section_title
;
 A Kinetically Stabilized Stannanetellone, a Tin&#x2212;Tellurium
 Double-Bonded Compound
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              3552
_journal_paper_doi               10.1021/om0604627
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C60 H104 Si7 Sn Te, 1(C6 H14)'
_chemical_formula_sum            'C66 H118 Si7 Sn Te'
_chemical_formula_weight         1354.55
_chemical_name_common            stannanetellone
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 90.492(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.871(4)
_cell_length_b                   22.050(6)
_cell_length_c                   23.776(6)
_cell_measurement_temperature    103(2)
_cell_volume                     7272(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF 99'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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     0.71070
_diffrn_reflns_av_R_equivalents  0.0305
_diffrn_reflns_av_sigmaI/netI    0.0247
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            59580
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    0.895
_exptl_absorpt_correction_T_max  0.7750
_exptl_absorpt_correction_T_min  0.7160
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.237
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2856
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.718
_refine_diff_density_min         -0.996
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.244
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     742
_refine_ls_number_reflns         12793
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.247
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0362
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0598P)^2^+6.4480P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0963
_refine_ls_wR_factor_ref         0.1142
_reflns_number_gt                11607
_reflns_number_total             12793
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0604627si20060526_072237.cif
_cod_data_source_block           BbtTitpSn=Te
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4074206