Di-μ~2~-chloro-1:2κ^2^<i>Cl</i>,3:4κ^2^<i>Cl</i>-chloro-4κ<i>Cl</i>-(6-chloropyridine-3-carboxylato-1κ^2^<i>O</i>,<i>O</i>')octamethyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-di-μ~3~-oxo-1:2:3κ^3^<i>O</i>,2:3:4κ^3^<i>O</i>-tetratin(IV) diethyl ether solvate
Fa-Hui li; Han-Dong Yin; Qiang Zhao; Wen-Li Liu; Acta Crystallographica Section E 62 (2006) m1117–m1118; doi:10.1107/S1600536806013754

data_2208887
_publ_section_title
;Di-\m~2~-chloro-1:2\k^2^<i>Cl</i>,3:4\k^2^<i>Cl</i>-chloro-4\k<i>Cl</i>-(6-chloropyridine-3-carboxylato-1\k^2^<i>O</i>,<i>O</i>')octamethyl-1\k^2^<i>C</i>,2\k^2^<i>C</i>,3\k^2^<i>C</i>,4\k^2^<i>C</i>-di-\m~3~-oxo-1:2:3\k^3^<i>O</i>,2:3:4\k^3^<i>O</i>-tetratin(IV)
 diethyl ether solvate
;
_journal_coeditor_code           HB2023
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1117
_journal_page_last               m1118
_journal_paper_doi               10.1107/S1600536806013754
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac
'[Sn4 (C H3)8 (C6 H3 Cl N O2) Cl3 O2], C4 H10 O'
_chemical_formula_moiety         'C14 H27 Cl4 N O4 Sn4, C4 H10 O'
_chemical_formula_sum            'C18 H37 Cl4 N O5 Sn4'
_chemical_formula_weight         976.06
_chemical_name_systematic
;
Di-\m~2~-chloro-1:2\k^2^Cl,3:4\k^2^Cl-chloro-4\kCl-(6-chloropyridine-
3-carboxylato-1\k^2^O,O')octamethyl-1\k^2^C,2\k^2^C,3\k^2^C,4\k^2^C-
di-\m~3~-oxo-1:2:3\k^3^O,2:3:4\k^3^O-tetratin(IV) diethyl ether solvate
;
_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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.059(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.123(2)
_cell_length_b                   11.0953(15)
_cell_length_c                   20.309(3)
_cell_measurement_reflns_used    6664
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.049
_cell_measurement_theta_min      2.293
_cell_volume                     3342.8(8)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'PROGRAM (ref, date)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       \w
_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  0.0280
_diffrn_reflns_av_sigmaI/netI    0.0329
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            17200
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.18
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    3.300
_exptl_absorpt_correction_T_max  0.588
_exptl_absorpt_correction_T_min  0.338
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.939
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1864
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.571
_refine_diff_density_min         -0.786
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     252
_refine_ls_number_reflns         6521
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0604
_refine_ls_R_factor_gt           0.0319
_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^)+(0.04P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0777
_refine_ls_wR_factor_ref         0.0887
_reflns_number_gt                4331
_reflns_number_total             6521
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2023.cif
_cod_data_source_block           I
_cod_original_cell_volume        3342.7(8)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2208887
_cod_database_fobs_code          2208887