(<i>N</i>-Maleoylglycinato)trimethyltin(IV)
Parvez, Masood; Bhatti, Moazzam Hussain; Ali, Saqib; Mazhar, Muhammad; Qureshi, Sajid Iqbal; Acta Crystallographica Section C 56 (2000) 327–328; doi:10.1107/S0108270199016510

data_2010716
_publ_section_title
;
 (<i>N</i>-Maleoylglycinato)trimethyltin(IV)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              327
_journal_page_last               328
_journal_paper_doi               10.1107/S0108270199016510
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Sn (CH3)3 (C6 H4 NO4)]'
_chemical_formula_moiety         '[Sn (CH3)3 (C6 H4 NO4)]'
_chemical_formula_sum            'C9 H13 N O4 Sn'
_chemical_formula_weight         317.89
_chemical_name_common            (N-Maleoylglycinate)trimethyltin(IV)
_chemical_name_systematic
;
(N-Maleoylglycinate)trimethyltin(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'
_cell_angle_alpha                90.00
_cell_angle_beta                 93.31(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.5848(15)
_cell_length_b                   9.991(4)
_cell_length_c                   19.688(6)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      10.0
_cell_volume                     1293.1(7)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection
'MSC/AFC Diffractometer Control (Molecular Structure Corporation, 1988)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1994)'
_computing_molecular_graphics    TEXSAN
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SAPI91 (Fan, 1991)'
_diffrn_ambient_temperature      170(2)
_diffrn_measurement_device_type  'Rigaku AFC-6S'
_diffrn_measurement_method       ' \w-2\q '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71069
_diffrn_reflns_av_R_equivalents  .054
_diffrn_reflns_av_sigmaI/netI    .0472
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            3235
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         2.91
_diffrn_standards_decay_%        <0.2
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.971
_exptl_absorpt_correction_T_max  .576
_exptl_absorpt_correction_T_min  .373
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
 \y scan (3 reflections) (North et al., 1968)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.633
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             624
_exptl_crystal_size_max          .58
_exptl_crystal_size_mid          .30
_exptl_crystal_size_min          .28
_refine_diff_density_max         1.267
_refine_diff_density_min         -1.384
_refine_ls_extinction_coef       .0006(5)
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.202
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     140
_refine_ls_number_reflns         2985
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.202
_refine_ls_R_factor_all          .0689
_refine_ls_R_factor_gt           .041
_refine_ls_shift/su_max          .000
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0443P)^2^+11.0866P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .147
_reflns_number_gt                2205
_reflns_number_total             2985
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fr1244.cif
_cod_data_source_block           (I)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2010716