(4-Acetylphenolato)tris(2-methyl-2-phenylpropyl)tin(IV)
Yang, Hong-Jun; Tian, Lai-Jin; Mao, Wu-Tao; Zheng, Xiao-Feng; Acta Crystallographica Section E 63 (2007) m1271–m1271; doi:10.1107/S1600536807015449

data_2213347
_publ_section_title
;
 (4-Acetylphenolato)tris(2-methyl-2-phenylpropyl)tin(IV)
;
_journal_coeditor_code           HB2357
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1271
_journal_page_last               m1271
_journal_paper_doi               10.1107/S1600536807015449
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Sn (C10 H13)3 (C8 H7 O2)]'
_chemical_formula_moiety         'C38 H46 O2 Sn'
_chemical_formula_sum            'C38 H46 O2 Sn'
_chemical_formula_weight         653.44
_chemical_name_systematic
;
(4-Acetylphenolato)tris(2-methyl-2-phenylpropyl)tin(IV)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                78.704(2)
_cell_angle_beta                 87.9060(10)
_cell_angle_gamma                76.8740(10)
_cell_formula_units_Z            2
_cell_length_a                   9.5062(7)
_cell_length_b                   9.7309(7)
_cell_length_c                   19.0769(15)
_cell_measurement_reflns_used    7970
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      26.36
_cell_measurement_theta_min      2.18
_cell_volume                     1685.2(2)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_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  0.0170
_diffrn_reflns_av_sigmaI/netI    0.0268
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            13220
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.18
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.788
_exptl_absorpt_correction_T_max  0.846
_exptl_absorpt_correction_T_min  0.738
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.288
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             680
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.425
_refine_diff_density_min         -0.288
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         6532
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0293
_refine_ls_R_factor_gt           0.0263
_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^)+(0.0402P)^2^+0.0822P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0651
_refine_ls_wR_factor_ref         0.0667
_reflns_number_gt                6022
_reflns_number_total             6532
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2357.cif
_cod_data_source_block           I
_cod_database_code               2213347
_cod_database_fobs_code          2213347