Hydrolysis of Tin(II) Neo-pentoxide: Syntheses, Characterization, and X-ray Structures of [Sn(ONep)2]\ιnfty, Sn5(μ3-O)2(μ-ONep)6, and Sn6(μ3-O)4(μ-ONep)4 Where ONep = OCH2CMe3
Timothy J. Boyle; Todd M. Alam; Mark A. Rodriguez; Cecilia A. Zechmann; Inorganic Chemistry 41 (2002) 2574–2582; doi:10.1021/ic011247f

data_4317955
_publ_section_title
;
 Hydrolysis of Tin(II) Neo-pentoxide: Syntheses, Characterization, and
 X-ray Structures of [Sn(ONep)2]\\infty, Sn5(\m3-O)2(\m-ONep)6, and
 Sn6(\m3-O)4(\m-ONep)4 Where ONep = OCH2CMe3
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2574
_journal_page_last               2582
_journal_paper_doi               10.1021/ic011247f
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C20 H44 O8 Sn6'
_chemical_formula_weight         1124.69
_chemical_name_common            Sn6(O)4(ONep)4
_chemical_name_systematic
;
   ?
;
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.777(3)
_cell_length_b                   23.961(3)
_cell_length_c                   11.985(2)
_cell_measurement_temperature    168(2)
_cell_volume                     6828.1(17)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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      168(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0254
_diffrn_reflns_av_sigmaI/netI    0.0240
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            31180
_diffrn_reflns_theta_full        23.28
_diffrn_reflns_theta_max         23.28
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    4.356
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.188
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'trucnated r'
_exptl_crystal_F_000             4224
_exptl_crystal_size_max          0.4mm
_exptl_crystal_size_min          0.6mm
_refine_diff_density_max         1.100
_refine_diff_density_min         -0.765
_refine_diff_density_rms         0.090
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.02(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     637
_refine_ls_number_reflns         9832
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0255
_refine_ls_R_factor_gt           0.0228
_refine_ls_shift/su_max          0.069
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0321P)^2^+6.1841P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0549
_refine_ls_wR_factor_ref         0.0561
_reflns_number_gt                9245
_reflns_number_total             9832
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic011247f_3.cif
_cod_data_source_block           tjb046z
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        6828.0(15)
_cod_original_sg_symbol_H-M      'P 21 21 21'
_cod_database_code               4317955