Hexa- and trinuclear organoantimony oxo clusters stabilized by organosilanols.
Kishore, Pilli V. V. N.; Baskar, Viswanathan; Inorganic chemistry 53 (2014) 6737–6742; doi:10.1021/ic500541h

data_4339981
_publ_section_title
;
 Hexa- and trinuclear organoantimony oxo clusters stabilized by
 organosilanols.
;
_journal_issue                   13
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6737
_journal_page_last               6742
_journal_paper_doi               10.1021/ic500541h
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C54 H57 N O9 Sb3 Si2'
_chemical_formula_weight         1285.44
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
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_cell_angle_beta                 102.7550(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.9322(15)
_cell_length_b                   28.524(2)
_cell_length_c                   24.7911(19)
_cell_measurement_reflns_used    7487
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      24.93
_cell_measurement_theta_min      2.21
_cell_volume                     13057.4(17)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      273(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0745
_diffrn_reflns_av_sigmaI/netI    0.0524
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            125092
_diffrn_reflns_theta_full        25.09
_diffrn_reflns_theta_max         25.09
_diffrn_reflns_theta_min         1.10
_exptl_absorpt_coefficient_mu    1.314
_exptl_absorpt_correction_T_max  0.8582
_exptl_absorpt_correction_T_min  0.7609
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   brukarsadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.308
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5128
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         5.001
_refine_diff_density_min         -1.179
_refine_diff_density_rms         0.302
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1249
_refine_ls_number_reflns         23117
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.1002
_refine_ls_R_factor_gt           0.0853
_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^)+(0.1347P)^2^+266.6570P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2457
_refine_ls_wR_factor_ref         0.2594
_reflns_number_gt                19062
_reflns_number_total             23117
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic500541h_si_001.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 4339979--4339982.cif.'
_cod_original_cell_volume        13057.4(18)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4339981