<i>catena</i>-Poly[[tri-<i>n</i>-butyltin(IV)]-μ-2-{(<i>E</i>)-4-hydroxy-3-[(<i>E</i>)-4-methylphenyliminomethyl]phenyldiazenyl}benzoato-κ^2^<i>O</i>:<i>O</i>']
Linden, Anthony; Basu Baul, Tushar S.; Singh, Keisham S.; Acta Crystallographica Section E 61 (2005) m2711–m2713; doi:10.1107/S1600536805038675

data_2207688
_publ_section_title
<i>catena</i>-Poly[[tri-<i>n</i>-butyltin(IV)]-\m-2-{(<i>E</i>)-4-hydroxy-3-[(<i>E</i>)-4-methylphenyliminomethyl]phenyldiazenyl}benzoato-\k^2^<i>O</i>:<i>O</i>']
_journal_coeditor_code           WN2001
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2711
_journal_page_last               m2713
_journal_paper_doi               10.1107/S1600536805038675
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Sn (C4 H9)3 (C21 H16 N3 O3)]'
_chemical_formula_moiety         'C33 H43 N3 O3 Sn'
_chemical_formula_sum            'C33 H43 N3 O3 Sn'
_chemical_formula_weight         648.32
_chemical_melting_point          363
_chemical_name_systematic
;
catena-Poly[[tri-n-butyltin(IV)]-\m-2-{(E)-4-hydroxy-3-[(E)-4-
methylphenyliminomethyl]phenyldiazenyl}benzoato-\k^2^O:O']
;
_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   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.1374(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.1439(2)
_cell_length_b                   9.9908(2)
_cell_length_c                   23.2964(4)
_cell_measurement_reflns_used    128424
_cell_measurement_temperature    160.0(10)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.0
_cell_volume                     3177.76(10)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2000)'
_computing_data_reduction
'DENZO-SMN and SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'SHELXL97 and PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1994)'
_diffrn_ambient_temperature      160.0(10)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Nonius KappaCCD area-detector'
_diffrn_measurement_method       '\f and \w scans with \k offsets'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_source         'Nonius FR590 sealed tube generator'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0754
_diffrn_reflns_av_sigmaI/netI    0.0348
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            66753
_diffrn_reflns_theta_full        27.44
_diffrn_reflns_theta_max         27.44
_diffrn_reflns_theta_min         2.53
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.839
_exptl_absorpt_correction_T_max  0.929
_exptl_absorpt_correction_T_min  0.752
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.355
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.155
_refine_diff_density_min         -0.617
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     409
_refine_ls_number_reflns         7241
_refine_ls_number_restraints     77
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0538
_refine_ls_R_factor_gt           0.0367
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0358P)^2^+3.0855P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0799
_refine_ls_wR_factor_ref         0.0880
_reflns_number_gt                5802
_reflns_number_total             7243
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wn2001.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_hydrogens' value 'geom & difmap' was changed to
'mixed'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2207688
_cod_database_fobs_code          2207688