The quest for silylhydroboranes: (Me(3)Si)(3)SiBH(2).
Arp, Henning; Marschner, Christoph; Baumgartner, Judith; Dalton transactions (Cambridge, England : 2003) 39 (2010) 9270–9274; doi:10.1039/c0dt00096e

data_7025985
_publ_section_title
;
 The quest for silylhydroboranes: (Me(3)Si)(3)SiBH(2).
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9270
_journal_page_last               9274
_journal_paper_doi               10.1039/c0dt00096e
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C198 H438 B10 K10 Si52 Ti6'
_chemical_formula_weight         5066.66
_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                109.50(3)
_cell_angle_beta                 93.11(3)
_cell_angle_gamma                97.90(3)
_cell_formula_units_Z            1
_cell_length_a                   14.835(3)
_cell_length_b                   21.470(4)
_cell_length_c                   28.542(6)
_cell_measurement_reflns_used    5044
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      50.950
_cell_measurement_theta_min      4.370
_cell_volume                     8439(3)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'SMART APEX'
_diffrn_measurement_method       '\w scans'
_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  0.1044
_diffrn_reflns_av_sigmaI/netI    0.1955
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            60723
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.02
_exptl_absorpt_coefficient_mu    0.479
_exptl_absorpt_correction_T_max  0.9188
_exptl_absorpt_correction_T_min  0.8170
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    0.997
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             2726
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         3.972
_refine_diff_density_min         -2.727
_refine_diff_density_rms         0.152
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1226
_refine_ls_number_reflns         29469
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.1983
_refine_ls_R_factor_gt           0.1286
_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^)+(0.1856P)^2^+7.9441P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3167
_refine_ls_wR_factor_ref         0.3567
_reflns_number_gt                15471
_reflns_number_total             29469
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00096e.txt
_cod_data_source_block           700j
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7025985