The formation of a metalloid Sn(10)[Si(SiMe(3))(3)](6) cluster compound and its relation to the alpha<‒>beta tin phase transition.
Schrenk, Claudio; Schellenberg, Inga; Pöttgen, Rainer; Schnepf, Andreas; Dalton transactions (Cambridge, England : 2003) 39 (2010) 1872–1876; doi:10.1039/b921392a

data_7024798
_publ_section_title
;
 The formation of a metalloid Sn(10)[Si(SiMe(3))(3)](6) cluster compound
 and its relation to the alpha&lt;--&gt;beta tin phase transition.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1872
_journal_page_last               1876
_journal_paper_doi               10.1039/b921392a
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C75 H185 Si24 Sn10'
_chemical_formula_weight         2948.29
_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                99.29(3)
_cell_angle_beta                 97.33(3)
_cell_angle_gamma                102.66(3)
_cell_formula_units_Z            2
_cell_length_a                   18.996(4)
_cell_length_b                   19.115(4)
_cell_length_c                   19.318(4)
_cell_measurement_reflns_used    51206
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.10
_cell_measurement_theta_min      1.37
_cell_volume                     6657(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.937
_diffrn_measured_fraction_theta_max 0.937
_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  0.0508
_diffrn_reflns_av_sigmaI/netI    0.0570
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            46253
_diffrn_reflns_theta_full        25.63
_diffrn_reflns_theta_max         25.63
_diffrn_reflns_theta_min         1.37
_exptl_absorpt_coefficient_mu    2.089
_exptl_absorpt_correction_T_max  0.8554
_exptl_absorpt_correction_T_min  0.4924
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.471
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2942
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.295
_refine_diff_density_min         -1.161
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1166
_refine_ls_number_reflns         23536
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0528
_refine_ls_R_factor_gt           0.0398
_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^)+(0.0557P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0946
_refine_ls_wR_factor_ref         0.0994
_reflns_number_gt                19216
_reflns_number_total             23536
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b921392a.txt
_cod_data_source_block           cls14p-1
_cod_original_cell_volume        6657(2)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7024798