Octamethyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-bis(μ~2~-2-methylpyrazine-5-carboxylato)-1:2κ^2^<i>O</i>:<i>O</i>;3:4κ^2^<i>O</i>:<i>O</i>-bis(2-methylpyrazine-5-carboxylato)-1κ<i>O</i>,4κ<i>O</i>-di-μ~3~-oxido-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) hexahydrate
Junying Li; Harrison, William T. A.; Tianduo Li; Acta Crystallographica Section E 63 (2007) m1246–m1248; doi:10.1107/S1600536807013888

data_2213199
_publ_section_title
;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>-bis(\m~2~-2-methylpyrazine-5-carboxylato)-1:2\k^2^<i>O</i>:<i>O</i>;3:4\k^2^<i>O</i>:<i>O</i>-bis(2-methylpyrazine-5-carboxylato)-1\k<i>O</i>,4\k<i>O</i>-di-\m~3~-oxido-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)
 hexahydrate
;
_journal_coeditor_code           CF2092
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1246
_journal_page_last               m1248
_journal_paper_doi               10.1107/S1600536807013888
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Sn4 O2 (C H3)8 (C6 H5 N2 O2)4], 6H2 O'
_chemical_formula_moiety         'C32 H44 N8 O10 Sn4, 6 H2 O'
_chemical_formula_sum            'C32 H56 N8 O16 Sn4'
_chemical_formula_weight         1283.61
_chemical_name_systematic
;
Octamethyl-1\k^2^C,2\k^2^C,3\k^2^C,4\k^2^C-
di-\m~2~-2-methylpyrazine-5-carboxylato-1:2\k^2^O:O;3:\
4\k^2^O:O-bis(2-methylpyrazine-5-carboxylato)-1\kO,\
4\kO-di-\m~3~-oxido-1:2:3\k^3^O:O:O;2:3:\
4\k^3^O:O:O-tetratin(IV) hexahydrate
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 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                 125.137(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   23.735(6)
_cell_length_b                   7.543(2)
_cell_length_c                   16.468(4)
_cell_measurement_reflns_used    3146
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.37
_cell_measurement_theta_min      2.50
_cell_volume                     2411.1(11)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_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 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker SMART 1000 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  0.0526
_diffrn_reflns_av_sigmaI/netI    0.0528
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6744
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.74
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.117
_exptl_absorpt_correction_T_max  0.500
_exptl_absorpt_correction_T_min  0.436
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.768
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.43
_exptl_crystal_size_min          0.38
_refine_diff_density_max         1.009
_refine_diff_density_min         -0.643
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     176
_refine_ls_number_reflns         2541
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0304
_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^)+(0.0165P)^2^+4.5809P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0649
_refine_ls_wR_factor_ref         0.0786
_reflns_number_gt                1920
_reflns_number_total             2541
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cf2092.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               2213199
_cod_database_fobs_code          2213199