<i>catena</i>-Poly[[dichloridodimethyltin(IV)]-μ-5-methylpyrazine-2-carboxylato-κ^3^<i>O</i>:<i>O</i>',<i>N</i>-[dimethyltin(IV)]]-μ-5-methylpyrazine-2-carboxylato-κ^3^<i>O</i>,<i>N</i>:<i>O</i>']
Jun-Ying Li; Tian-Duo Li; Acta Crystallographica Section E 63 (2007) m847–m849; doi:10.1107/S1600536807007866

data_2212703
_publ_section_title
<i>catena</i>-Poly[[dichloridodimethyltin(IV)]-\m-5-methylpyrazine-2-carboxylato-\k^3^<i>O</i>:<i>O</i>',<i>N</i>-[dimethyltin(IV)]]-\m-5-methylpyrazine-2-carboxylato-\k^3^<i>O</i>,<i>N</i>:<i>O</i>']
_journal_coeditor_code           SJ2225
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m847
_journal_page_last               m849
_journal_paper_doi               10.1107/S1600536807007866
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Sn2 Cl2 (C H3)4 (C6 H5 N2 O2)2]'
_chemical_formula_moiety         'C16 H22 Cl2 N4 O4 Sn2'
_chemical_formula_sum            'C16 H22 Cl2 N4 O4 Sn2'
_chemical_formula_weight         642.66
_chemical_name_systematic
;
catena-Poly[[dichloridodimethyltin(IV)]-\m-5-methylpyrazine-2-carboxylato-
\k^3^O:O',N-[dimethyltin(IV)]]-\m-5-methylpyrazine-2-carboxylato-\k^3^O,N:O']
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   30.205(7)
_cell_length_b                   10.824(3)
_cell_length_c                   7.2092(16)
_cell_measurement_reflns_used    5188
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.556
_cell_measurement_theta_min      2.315
_cell_volume                     2357.0(10)
_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  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0769
_diffrn_reflns_av_sigmaI/netI    0.0742
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            11833
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.00
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.373
_exptl_absorpt_correction_T_max  0.7803
_exptl_absorpt_correction_T_min  0.3399
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.811
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1248
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.43
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.661
_refine_diff_density_min         -1.223
_refine_ls_abs_structure_details 'Flack (1983), with 2258 Friedel pairs'
_refine_ls_abs_structure_Flack   0.05(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         4154
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0530
_refine_ls_R_factor_gt           0.0448
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.064P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1079
_refine_ls_wR_factor_ref         0.1146
_reflns_number_gt                3672
_reflns_number_total             4154
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sj2225.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2357.0(9)
_cod_database_code               2212703
_cod_database_fobs_code          2212703