Bis(μ-pyridine-2,6-dicarboxylato)-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>';κ^4^<i>O</i>:<i>O</i>,<i>N</i>,<i>O</i>'-bis[aquamethylphenyltin(IV)] chloroform disolvate
Amini, Mostafa M.; Azadmeher, Amirreza; Ng, Seik Weng; Acta Crystallographica Section E 63 (2007) m810–m811; doi:10.1107/S1600536807007295

data_2212683
_publ_section_title
;Bis(\m-pyridine-2,6-dicarboxylato)-\k^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>';\k^4^<i>O</i>:<i>O</i>,<i>N</i>,<i>O</i>'-bis[aquamethylphenyltin(IV)]
 chloroform disolvate
;
_journal_coeditor_code           SG2130
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m810
_journal_page_last               m811
_journal_paper_doi               10.1107/S1600536807007295
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Sn2 (C H3)2 (C6 H5)2 (C7 H3 N O4)2 (H2 O)2], 2C H Cl3'
_chemical_formula_moiety         'C28 H28 N2 O10 Sn2, 2C H Cl3'
_chemical_formula_sum            'C30 H30 Cl6 N2 O10 Sn2'
_chemical_formula_weight         1028.64
_chemical_name_systematic
;
Bis[aquamethylphenyl(\m-pyridine-2,6-dicarboxylato-\k^4^O,N,O':O'')tin(IV)]
chloroform disolvate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 117.0280(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.7306(3)
_cell_length_b                   10.6253(2)
_cell_length_c                   17.1579(3)
_cell_measurement_reflns_used    8494
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      32.4
_cell_measurement_theta_min      2.5
_cell_volume                     3691.38(11)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX-II software (Bruker, 2004)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.98
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'medium-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0564
_diffrn_reflns_av_sigmaI/netI    0.0697
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            17272
_diffrn_reflns_theta_full        30.0
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.01
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.844
_exptl_absorpt_correction_T_max  0.964
_exptl_absorpt_correction_T_min  0.499
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.851
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             2024
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.90
_refine_diff_density_min         -1.87
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.06
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     228
_refine_ls_number_reflns         5278
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.06
_refine_ls_R_factor_all          0.079
_refine_ls_R_factor_gt           0.046
_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^)+(0.0696P)^2^+5.0368P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.107
_refine_ls_wR_factor_ref         0.132
_reflns_number_gt                3763
_reflns_number_total             5278
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sg2130.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 'Monoclinic' changed to 'monoclinic'
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        3691.40(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2212683
_cod_database_fobs_code          2212683