{2,6-Bis[(dimethylamino)methyl]phenyl-<i>N</i>^2^,<i>C</i>^1^,<i>N</i>^6^}diphenyltin(II) bromide monohydrate
Jambor, Roman; Císařová, Ivana; Rǔžička, Aleš; Holeček, Jaroslav; Acta Crystallographica Section C 57 (2001) 373–374; doi:10.1107/S0108270101000026

data_2011901
_publ_section_title
;{2,6-Bis[(dimethylamino)methyl]phenyl-<i>N</i>^2^,<i>C</i>^1^,<i>N</i>^6^}diphenyltin(II)
 bromide monohydrate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              373
_journal_page_last               374
_journal_paper_doi               10.1107/S0108270101000026
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Sn (C6 H5 )2 (C12 H19 N2 )]Br , H2 O'
_chemical_formula_moiety         'C24 H29 N2 Sn + , Br - , H2O'
_chemical_formula_sum            'C24 H31 Br N2 O Sn'
_chemical_formula_weight         562.11
_chemical_name_systematic
;
 [1,6-bis(dimethylamino)methyl]phenyl}diphenyltin bromine monohydrate
;
_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'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 125.0660(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.8520(3)
_cell_length_b                   20.0760(4)
_cell_length_c                   10.4740(2)
_cell_measurement_reflns_used    15656
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      .998
_cell_volume                     2384.05(9)
_computing_cell_refinement       'COLLECT and DENZO'
_computing_data_collection
'COLLECT (Hooft, 1998) and DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction        'COLLECT and DENZO'
_computing_molecular_graphics    'PLATON (Spek, 1999)'
_computing_publication_material  'SHELXL97 and PLATON'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full .983
_diffrn_measured_fraction_theta_max .983
_diffrn_measurement_device_type  'Nonius KappaCCD area detector'
_diffrn_measurement_method       '\f and \w scans to fill the Ewald sphere'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0463
_diffrn_reflns_av_sigmaI/netI    .0200
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            23135
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.54
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.765
_exptl_absorpt_correction_T_max  .659
_exptl_absorpt_correction_T_min  .521
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SORTAV; Blessing 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          .2
_exptl_crystal_size_mid          .2
_exptl_crystal_size_min          .1
_refine_diff_density_max         .277
_refine_diff_density_min         -.800
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     154
_refine_ls_number_reflns         2688
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          .0211
_refine_ls_R_factor_gt           .0202
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0239P)^2^+2.3842P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .0503
_reflns_number_gt                2612
_reflns_number_total             2688
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sk1427.cif
_cod_data_source_block           I
_cod_original_cell_volume        2384.05(8)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2011901
_cod_database_fobs_code          2011901