Bis{μ-<i>N</i>-[bis(hydroxymethyl)(oxidomethyl)methyl]glycinato}bis[dimethyltin(IV)] dioxane hemisolvate
Fang, Xiao-Niu; Luo, Qiu-Yan; Zeng, Xi-Rui; Sui, Yan; Li, Xin-Fa; Acta Crystallographica Section E 61 (2005) m2604–m2606; doi:10.1107/S1600536805036603

data_2207553
_publ_section_title
;Bis{\m-<i>N</i>-[bis(hydroxymethyl)(oxidomethyl)methyl]glycinato}bis[dimethyltin(IV)]
 dioxane hemisolvate
;
_journal_coeditor_code           HG6260
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2604
_journal_page_last               m2606
_journal_paper_doi               10.1107/S1600536805036603
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Sn2 (C H3)4 (C6 H11 N O5)2] , 0.5C4 H8 O2'
_chemical_formula_moiety         'C16 H34 N2 O10 Sn2, 0.5C4 H8 O2'
_chemical_formula_sum            'C18 H38 N2 O11 Sn2'
_chemical_formula_weight         695.88
_chemical_name_systematic
;
Bis{\m-N-[bis(hydroxymethyl)(oxidomethyl)methyl]glycinato}[dimethyltin(IV)]
dioxane hemisolvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 92.6150(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.1343(4)
_cell_length_b                   8.3520(4)
_cell_length_c                   19.3060(9)
_cell_measurement_reflns_used    11611
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.09
_cell_measurement_theta_min      2.11
_cell_volume                     1310.24(11)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        APEX2
_computing_molecular_graphics    APEX2
_computing_publication_material  APEX2
_computing_structure_refinement  APEX2
_computing_structure_solution    APEX2
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II 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  0.0269
_diffrn_reflns_av_sigmaI/netI    0.0171
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            11611
_diffrn_reflns_theta_full        25.09
_diffrn_reflns_theta_max         25.09
_diffrn_reflns_theta_min         2.11
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.961
_exptl_absorpt_correction_T_max  0.760
_exptl_absorpt_correction_T_min  0.476
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.764
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             696
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.943
_refine_diff_density_min         -0.589
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     167
_refine_ls_number_reflns         2325
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0288
_refine_ls_R_factor_gt           0.0272
_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^)+(0.0580P)^2^+3.0289P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0862
_refine_ls_wR_factor_ref         0.0878
_reflns_number_gt                2198
_reflns_number_total             2325
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg6260.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2207553
_cod_database_fobs_code          2207553