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_4317954
_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            'C30 H66 O8 Sn5'
_chemical_formula_weight         1148.28
_chemical_name_common            Sn5(O)2(ONep)6
_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                87.127(12)
_cell_angle_beta                 84.157(13)
_cell_angle_gamma                64.555(11)
_cell_formula_units_Z            2
_cell_length_a                   10.182(9)
_cell_length_b                   11.707(11)
_cell_length_c                   20.167(18)
_cell_measurement_temperature    168(2)
_cell_volume                     2159(3)
_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 0.970
_diffrn_measured_fraction_theta_max 0.970
_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  0.0321
_diffrn_reflns_av_sigmaI/netI    0.0593
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            9750
_diffrn_reflns_theta_full        23.36
_diffrn_reflns_theta_max         23.36
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    2.889
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.766
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelpip
_exptl_crystal_F_000             1120
_exptl_crystal_size_max          0.2mm
_exptl_crystal_size_mid          0.2mm
_exptl_crystal_size_min          0.3mm
_refine_diff_density_max         2.444
_refine_diff_density_min         -3.593
_refine_diff_density_rms         0.269
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.186
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         6100
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.186
_refine_ls_R_factor_all          0.1354
_refine_ls_R_factor_gt           0.1120
_refine_ls_shift/su_max          0.562
_refine_ls_shift/su_mean         0.015
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+203.2217P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2570
_refine_ls_wR_factor_ref         0.2663
_reflns_number_gt                4643
_reflns_number_total             6100
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic011247f_2.cif
_cod_data_source_block           tjb053s
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_database_code               4317954