Bis(μ-benzoato-κ<sup>2</sup><i>O</i>:<i>O</i>')bis-(benzoato-κ<i>O</i>)octabutyldi-μ<sub>3</sub>-oxido-tetra-tin(IV).
Reuter, Hans; Okio, Coco K. Y. A.; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 322–326; doi:10.1107/S2056989017001505

data_2311354
_publ_section_title
;
 Bis(\m-benzoato-\k<sup>2</sup><i>O</i>:<i>O</i>')bis-(benzoato-\k<i>O</i>)octabutyldi-\m<sub>3</sub>-oxido-tetra-tin(IV).
;
_journal_coeditor_code           ZL2692
_journal_issue                   'Pt 3'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              322
_journal_page_last               326
_journal_paper_doi               10.1107/S2056989017001505
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Sn4 (C4 H9)8 (C7 H5 O2)4 O2]'
_chemical_formula_sum            'C60 H92 O10 Sn4'
_chemical_formula_weight         1448.09
_chemical_name_systematic
Bis(\m-benzoato-\k^2^<i>O</i>:<i>O</i>')bis(benzoato-\k<i>O</i>)octabutyldi-\m~3~-oxido-tetratin(IV)
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                66.915(2)
_cell_angle_beta                 81.233(2)
_cell_angle_gamma                78.528(2)
_cell_formula_units_Z            2
_cell_length_a                   14.3221(6)
_cell_length_b                   14.3742(6)
_cell_length_c                   17.4049(7)
_cell_measurement_reflns_used    9485
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.33
_cell_measurement_theta_min      2.39
_cell_volume                     3219.3(2)
_computing_cell_refinement
;
SAINT (Bruker, 2009)
;
_computing_data_collection
;
APEX2 (Bruker, 2009)
;
_computing_data_reduction
;
SAINT (Bruker, 2009)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 2006) and Mercury (Macrae <i>et al.</i>,
2008)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            137897
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.999
_diffrn_reflns_theta_min         1.921
_exptl_absorpt_coefficient_mu    1.585
_exptl_absorpt_correction_T_max  0.722
_exptl_absorpt_correction_T_min  0.556
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2009)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.494
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1464
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.263
_exptl_crystal_size_min          0.220
_refine_diff_density_max         0.812
_refine_diff_density_min         -0.607
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     710
_refine_ls_number_reflns         15505
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0239
_refine_ls_R_factor_gt           0.0190
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0156P)^2^+2.1897P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0407
_refine_ls_wR_factor_ref         0.0429
_reflns_number_gt                13810
_reflns_number_total             15505
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           I
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_shelx_estimated_absorpt_t_min   0.556
_shelx_estimated_absorpt_t_max   0.722
_shelx_hkl_checksum              20504
_shelx_res_checksum              90560