Octabutyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-bis(μ~2~-2,4-dichlorophenoxyacetato)-1:2κ^2^<i>O</i>:<i>O</i>';3:4κ^2^<i>O</i>:<i>O</i>'-bis(2,4-dichlorophenoxyacetato)-1κ<i>O</i>,4κ<i>O</i>-di-μ~3~-oxo-1:2:3κ^3^<i>O</i>:<i>O</i>:<i>O</i>;2:3:4κ^3^<i>O</i>:<i>O</i>:<i>O</i>-tetratin(IV)
Fa-Hui Li; Han-Dong Yin; Wen-Bo Huang; Yu-Wei Wang; Acta Crystallographica Section E 62 (2006) m919–m921; doi:10.1107/S1600536806010889

data_2208728
_publ_section_title
Octabutyl-1\k^2^<i>C</i>,2\k^2^<i>C</i>,3\k^2^<i>C</i>,4\k^2^<i>C</i>-bis(\m~2~-2,4-dichlorophenoxyacetato)-1:2\k^2^<i>O</i>:<i>O</i>';3:4\k^2^<i>O</i>:<i>O</i>'-bis(2,4-dichlorophenoxyacetato)-1\k<i>O</i>,4\k<i>O</i>-di-\m~3~-oxo-1:2:3\k^3^<i>O</i>:<i>O</i>:<i>O</i>;2:3:4\k^3^<i>O</i>:<i>O</i>:<i>O</i>-tetratin(IV)
_journal_coeditor_code           SJ2026
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m919
_journal_page_last               m921
_journal_paper_doi               10.1107/S1600536806010889
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Sn4 (C4 H9)8 (C8 H5 Cl2 O3)4 O2]'
_chemical_formula_moiety         'C64 H92 Cl8 O14 Sn4'
_chemical_formula_sum            'C64 H92 Cl8 O14 Sn4'
_chemical_formula_weight         1843.74
_chemical_name_systematic
;
Octabutyl-1\k^2^<i>C</i>, 2\k^2^<i>C</i>, 3\k^2^<i>C</i>,
4-2<i>C</i>-di-2--2,4-dichlorophenoxyacetato-1:2\k^2^<i>O</i>:<i>O</i>^'^;
3:4\k^2^<i>O</i>:<i>O</i>^'^-bis-(2,4-dichlorophenoxyacetato)-1\k<i>O</i>,
4\k<i>O</i>-di-\m~3~-oxo-1:2:3\k^3^<i>O</i>:<i>O</i>:<i>O</i>;2:3:4\k^3^
<i>O</i>:<i>O</i>:<i>O</i>-tetratin(IV)
;
_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                88.964(3)
_cell_angle_beta                 84.890(3)
_cell_angle_gamma                62.852(3)
_cell_formula_units_Z            1
_cell_length_a                   12.020(3)
_cell_length_b                   12.488(3)
_cell_length_c                   14.562(3)
_cell_measurement_reflns_used    3064
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.204
_cell_measurement_theta_min      2.268
_cell_volume                     1936.7(8)
_computing_cell_refinement       'SAINT (Bruker 1998)'
_computing_data_collection       'SMART (Bruker 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker CCD area detector'
_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  0.0285
_diffrn_reflns_av_sigmaI/netI    0.0633
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10200
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.95
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.607
_exptl_absorpt_correction_T_max  0.534
_exptl_absorpt_correction_T_min  0.456
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.581
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             924
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.39
_refine_diff_density_max         1.792
_refine_diff_density_min         -0.680
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     426
_refine_ls_number_reflns         6751
_refine_ls_number_restraints     390
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0884
_refine_ls_R_factor_gt           0.0489
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0500P)^2^+5.3146P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1095
_refine_ls_wR_factor_ref         0.1343
_reflns_number_gt                4330
_reflns_number_total             6751
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sj2026.cif
_cod_data_source_block           I
_cod_original_cell_volume        1936.5(7)
_cod_database_code               2208728
_cod_database_fobs_code          2208728