Monoclinic modification of bis(μ~2~-pyridine-2,6-dicarboxylato)-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6^;κ^4^<i>O</i>^2^:<i>O</i>^2^,<i>N</i>,<i>O</i>^6^-bis[aquadibutyltin(IV)]
Ng, Seik Weng; Acta Crystallographica Section E 67 (2011) m277–; doi:10.1107/S1600536811002935

data_2228983
_publ_section_title
;
 Monoclinic modification of
 bis(\m~2~-pyridine-2,6-dicarboxylato)-\k^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6^;\k^4^<i>O</i>^2^:<i>O</i>^2^,<i>N</i>,<i>O</i>^6^-bis[aquadibutyltin(IV)]
;
_journal_coeditor_code           BT5468
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m277
_journal_paper_doi               10.1107/S1600536811002935
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Sn2 (C4 H9)4 (C7 H3 N O4)2 (H2 O)2]'
_chemical_formula_moiety         'C30 H46 N2 O10 Sn2'
_chemical_formula_sum            'C30 H46 N2 O10 Sn2'
_chemical_formula_weight         832.07
_chemical_name_systematic
;
bis(\m~2~-pyridine-2,6-dicarboxylato)-
\k^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6^;
\k^4^<i>O</i>^2^:<i>O</i>^2^,<i>N</i>,<i>O</i>^6^-bis[aquadibutyltin(IV)]
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/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                 90.251(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.8882(8)
_cell_length_b                   11.0957(4)
_cell_length_c                   18.0940(8)
_cell_measurement_reflns_used    11217
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.4
_cell_measurement_theta_min      2.2
_cell_volume                     3390.5(3)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2010)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2010)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2010)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4041
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Agilent SuperNova Dual with Atlas detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  Mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0540
_diffrn_reflns_av_sigmaI/netI    0.0862
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            25121
_diffrn_reflns_theta_full        27.58
_diffrn_reflns_theta_max         27.58
_diffrn_reflns_theta_min         2.20
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.529
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.76691
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis PRO; Agilent, 2010)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.631
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1680
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.583
_refine_diff_density_min         -1.810
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         12181
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0716
_refine_ls_R_factor_gt           0.0377
_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^)+(0.0608P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1003
_refine_ls_wR_factor_ref         0.1258
_reflns_number_gt                9129
_reflns_number_total             12181
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt5468.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 2/n'
_cod_database_code               2228983
_cod_database_fobs_code          2228983