Bis{μ-2-hydroxy-5-[(<i>E</i>)-2-(2-methoxyphenyl)diazenyl]benzoato}bis(di-<i>n</i>-butyl{2-hydroxy-5-[(<i>E</i>)-2-(2-methoxyphenyl)diazenyl]benzoato}tin(IV))
Linden, Anthony; Wolstenholme, David; Basu Baul, Tushar S.; Rynjah, Wandondor; Acta Crystallographica Section E 63 (2007) m1547–m1548; doi:10.1107/S1600536807020302

data_2213469
_publ_section_title
Bis{\m-2-hydroxy-5-[(<i>E</i>)-2-(2-methoxyphenyl)diazenyl]benzoato}bis(di-<i>n</i>-butyl{2-hydroxy-5-[(<i>E</i>)-2-(2-methoxyphenyl)diazenyl]benzoato}tin(IV))
_journal_coeditor_code           LH2373
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1547
_journal_page_last               m1548
_journal_paper_doi               10.1107/S1600536807020302
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Sn2 (C14 H11 N2 O4)4 (C4 H9)4]'
_chemical_formula_moiety         'C72 H80 N8 O16 Sn2'
_chemical_formula_sum            'C72 H80 N8 O16 Sn2'
_chemical_formula_weight         1550.66
_chemical_melting_point          353
_chemical_name_systematic
;
Bis{\m-2-hydroxy-5-[(E)-2-(2-methoxyphenyl)diazenyl]benzoato}bis(di-n-
butyl{2-hydroxy-5-[(E)-2-(2-methoxyphenyl)diazenyl]benzoato}tin(IV))
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.0634(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   35.6311(7)
_cell_length_b                   10.6333(2)
_cell_length_c                   19.5551(4)
_cell_measurement_reflns_used    84575
_cell_measurement_temperature    160.0(10)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.0
_cell_volume                     7186.9(2)
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.1041
_diffrn_reflns_av_sigmaI/netI    0.0448
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            70128
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.00
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.766
_exptl_absorpt_correction_T_max  0.892
_exptl_absorpt_correction_T_min  0.805
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            orange--red
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3184
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.726
_refine_diff_density_min         -1.124
_refine_ls_extinction_coef       0.00054(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     524
_refine_ls_number_reflns         6347
_refine_ls_number_restraints     147
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0873
_refine_ls_R_factor_gt           0.0572
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0562P)^2^+33.1175P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1327
_refine_ls_wR_factor_ref         0.1484
_reflns_number_gt                4601
_reflns_number_total             6348
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh2373.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2213469
_cod_database_fobs_code          2213469