Hydrogen bonding in dibromo[2-(dimethylaminomethyl)phenyl][2-(dimethylammoniomethyl)phenyl]tin(IV) tetrabromo[2-(dimethylaminomethyl)phenyl]tin(IV)
Varga, Richard A.; Silvestru, Cristian; Acta Crystallographica Section C 63 (2007) m48–m50; doi:10.1107/S010827010605150X

data_2015774
_publ_section_title
;Hydrogen bonding in
 dibromo[2-(dimethylaminomethyl)phenyl][2-(dimethylammoniomethyl)phenyl]tin(IV)
 tetrabromo[2-(dimethylaminomethyl)phenyl]tin(IV)
;
_journal_coeditor_code           AV3053
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m48
_journal_page_last               m50
_journal_paper_doi               10.1107/S010827010605150X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Sn Br2 (C9 H12 N)2] [Sn Br4 (C9 H12 N)]'
_chemical_formula_moiety         'C18 H25 Br2 N2 Sn + , C9 H12 Br4 N Sn -'
_chemical_formula_sum            'C27 H37 Br6 N3 Sn2'
_chemical_formula_weight         1120.44
_chemical_name_systematic
;
dibromobis[2-(dimethylamino)methyl]tin(IV)
tetrabromo[2-(dimethylamino)methyl]tin(IV)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 95.4790(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.5330(5)
_cell_length_b                   36.635(2)
_cell_length_c                   10.0344(6)
_cell_measurement_reflns_used    4671
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      22.69
_cell_measurement_theta_min      2.22
_cell_volume                     3488.4(3)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2000)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg & Putz, 2005)'
_computing_publication_material  'publCIF (Westrip, 2006)'
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2001)'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0481
_diffrn_reflns_av_sigmaI/netI    0.0433
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            25246
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.11
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    8.326
_exptl_absorpt_correction_T_max  0.368
_exptl_absorpt_correction_T_min  0.141
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.133
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2120
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.102
_refine_diff_density_min         -0.981
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         6137
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0534
_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^)+(0.0501P)^2^+13.0613P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1170
_refine_ls_wR_factor_ref         0.1221
_reflns_number_gt                5141
_reflns_number_total             6137
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            av3053.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2015774