<i>catena</i>-Poly[[tribenzyltin(IV)]-μ-4-nitrocinnamato-κ^2^<i>O</i>:<i>O</i>']
Thong, Pui Yee; Lo, Kong Mun; Ng, Seik Weng; Acta Crystallographica Section E 64 (2008) m1390–; doi:10.1107/S1600536808032236

data_2220015
_publ_section_title
<i>catena</i>-Poly[[tribenzyltin(IV)]-\m-4-nitrocinnamato-\k^2^<i>O</i>:<i>O</i>']
_journal_coeditor_code           TK2314
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1390
_journal_paper_doi               10.1107/S1600536808032236
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Sn (C7 H7)3 (C9 H6 N O4)]'
_chemical_formula_moiety         'C30 H27 N O4 Sn'
_chemical_formula_sum            'C30 H27 N O4 Sn'
_chemical_formula_weight         584.22
_chemical_name_systematic
;
catena-Poly[[tribenzyltin(IV)]-\m-4-nitrocinnamato-\k^2^<i>O</i>:<i>O</i>']
;
_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
_audit_creation_method           SHELXL97
_cell_angle_alpha                90
_cell_angle_beta                 112.1330(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   21.4850(3)
_cell_length_b                   10.21340(10)
_cell_length_c                   25.9562(4)
_cell_measurement_reflns_used    9977
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.3
_cell_measurement_theta_min      2.4
_cell_volume                     5275.99(13)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       \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  0.032
_diffrn_reflns_av_sigmaI/netI    0.029
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            48779
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         1.1
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.004
_exptl_absorpt_correction_T_max  0.971
_exptl_absorpt_correction_T_min  0.714
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.471
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2368
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.812
_refine_diff_density_min         -0.798
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.06
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     565
_refine_ls_number_reflns         12115
_refine_ls_number_restraints     38
_refine_ls_restrained_S_all      1.06
_refine_ls_R_factor_all          0.053
_refine_ls_R_factor_gt           0.033
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0362P)^2^+8.7819P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.077
_refine_ls_wR_factor_ref         0.091
_reflns_number_gt                9043
_reflns_number_total             12115
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            tk2314.cif
_cod_data_source_block           I
_cod_original_cell_volume        5276.00(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2220015
_cod_database_fobs_code          2220015