<i>catena</i>-Poly[[trimethyltin(IV)]-μ-2-[(3-oxocyclohex-1-enyl)amino]benzoato-κ^2^<i>O</i>:<i>O</i>']
Vieira, Flaviana T.; Menezes, Daniele C.; de Lima, Geraldo M.; Ardisson, José D.; Maia, José R. da S.; Speziali, Nivaldo L.; Acta Crystallographica Section E 63 (2007) m2587–m2587; doi:10.1107/S1600536807044273

data_2215491
_publ_section_title
<i>catena</i>-Poly[[trimethyltin(IV)]-\m-2-[(3-oxocyclohex-1-enyl)amino]benzoato-\k^2^<i>O</i>:<i>O</i>']
_journal_coeditor_code           GW2023
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2587
_journal_page_last               m2587
_journal_paper_doi               10.1107/S1600536807044273
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Sn (C H3)3 (C13 H13 N O3)]'
_chemical_formula_moiety         'C16 H21 N O3 Sn'
_chemical_formula_sum            'C16 H21 N O3 Sn'
_chemical_formula_weight         394.03
_chemical_melting_point          .44E-305
_chemical_name_common
Poly-[trimethyltin-3-{(carboxyphenyl)amino}cyclohexen-2-one]
_chemical_name_systematic
;
<it>catena</it>-Poly[[trimethyltin(IV)]-\m-2-[(3-oxocyclohex-1-
enyl)amino]benzoato-\k^2^<it>O</it>:<it>O</it>']
;
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   30.626(5)
_cell_length_b                   12.981(2)
_cell_length_c                   17.164(2)
_cell_measurement_reflns_used    26
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      12.501
_cell_measurement_theta_min      11.757
_cell_volume                     6823.7(17)
_computing_cell_refinement       'XSCANS (Siemens, 1991)'
_computing_data_collection       'XSCANS (Siemens, 1991)'
_computing_data_reduction        'XSCANS (Siemens, 1991)'
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 1990)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       2\q/\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  0.0385
_diffrn_reflns_av_sigmaI/netI    0.0286
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            7294
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         2.08
_diffrn_standards_decay_%        4
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.506
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             3168
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.261
_refine_diff_density_min         -0.373
_refine_ls_abs_structure_details 'Flack (1983), with how many Friedel pairs?'
_refine_ls_abs_structure_Flack   -0.04(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.740
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     193
_refine_ls_number_reflns         2329
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.740
_refine_ls_R_factor_all          0.0284
_refine_ls_R_factor_gt           0.0239
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.1P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0764
_refine_ls_wR_factor_ref         0.0866
_reflns_number_gt                2099
_reflns_number_total             2329
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gw2023.cif
_cod_data_source_block           I
_cod_original_cell_volume        6823.6(19)
_cod_original_sg_symbol_H-M      Fdd2
_cod_database_code               2215491
_cod_database_fobs_code          2215491