Di-μ~3~-oxido-bis(μ~2~-quinaldato-κ^2^<i>O</i>:<i>O</i>)bis(quinaldato-κ^2^<i>N</i>,<i>O</i>)tetrakis[di-<i>n</i>-butyltin(IV)]
Wang, Hongyun; Yin, Handong; Acta Crystallographica Section E 64 (2008) m197–m198; doi:10.1107/S1600536807066378

data_2216899
_publ_section_title
Di-\m~3~-oxido-bis(\m~2~-quinaldato-\k^2^<i>O</i>:<i>O</i>)bis(quinaldato-\k^2^<i>N</i>,<i>O</i>)tetrakis[di-<i>n</i>-butyltin(IV)]
_journal_coeditor_code           BH2155
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m197
_journal_page_last               m198
_journal_paper_doi               10.1107/S1600536807066378
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Sn4 (C4 H9)8 (C10 H6 N O2)4 O2]'
_chemical_formula_moiety         'C72 H96 N4 O10 Sn4'
_chemical_formula_sum            'C72 H96 N4 O10 Sn4'
_chemical_formula_weight         1652.29
_chemical_melting_point          426
_chemical_name_systematic
;
Di-\m~3~-oxido-bis(\m~2~-quinaldato-\k^2^O:O)bis(quinaldato-
\k^2^<i>N</i>,<i>O</i>)tetrakis[di-<i>n</i>-butyltin(IV)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.971(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.096(5)
_cell_length_b                   12.551(5)
_cell_length_c                   22.278(9)
_cell_measurement_reflns_used    5520
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      22.81
_cell_measurement_theta_min      2.39
_cell_volume                     3653(2)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Siemens, 1996)'
_computing_publication_material  'SHELXTL (Siemens, 1996)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART'
_diffrn_measurement_method       '\f and \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  0.0424
_diffrn_reflns_av_sigmaI/netI    0.0492
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            18614
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    1.409
_exptl_absorpt_correction_T_max  0.714
_exptl_absorpt_correction_T_min  0.517
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.502
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1672
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.916
_refine_diff_density_min         -0.489
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     410
_refine_ls_number_reflns         6437
_refine_ls_number_restraints     169
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0728
_refine_ls_R_factor_gt           0.0390
_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^)+(0.0700P)^2^+1.6257P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0966
_refine_ls_wR_factor_ref         0.1273
_reflns_number_gt                4499
_reflns_number_total             6437
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bh2155.cif
_cod_data_source_block           I
_cod_original_cell_volume        3653(3)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2216899
_cod_database_fobs_code          2216899