<i>rac</i>-(3-Hydroxy-2-phenylpropionato-κ<i>O</i>)triphenyltin(IV)
Amini, Mostafa M.; Hajiashrafi, Taraneh; Kharat, Ali Nemati; Ng, Seik Weng; Acta Crystallographica Section E 64 (2008) m1403–; doi:10.1107/S160053680803242X

data_2219866
_publ_section_title
;
 <i>rac</i>-(3-Hydroxy-2-phenylpropionato-\k<i>O</i>)triphenyltin(IV)
;
_journal_coeditor_code           HB2813
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1403
_journal_paper_doi               10.1107/S160053680803242X
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Sn (C6 H5)3 (C9 H9 O3)]'
_chemical_formula_moiety         'C27 H24 O3 Sn'
_chemical_formula_sum            'C27 H24 O3 Sn'
_chemical_formula_weight         515.15
_chemical_name_systematic
;
<i>rac</i>-(3-Hydroxy-2-phenylpropionato-\k<i>O</i>)triphenyltin(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           SHELXL97
_cell_angle_alpha                90.0870(10)
_cell_angle_beta                 103.6640(10)
_cell_angle_gamma                112.7580(10)
_cell_formula_units_Z            2
_cell_length_a                   9.3880(2)
_cell_length_b                   9.4899(2)
_cell_length_c                   14.3399(2)
_cell_measurement_reflns_used    9425
_cell_measurement_temperature    112(2)
_cell_measurement_theta_max      32.6
_cell_measurement_theta_min      2.3
_cell_volume                     1138.58(4)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_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      112(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'medium-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0200
_diffrn_reflns_av_sigmaI/netI    0.0135
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            33531
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.47
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.148
_exptl_absorpt_correction_T_max  0.717
_exptl_absorpt_correction_T_min  0.663
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             520
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.31
_refine_diff_density_max         0.643
_refine_diff_density_min         -0.352
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     281
_refine_ls_number_reflns         6612
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0201
_refine_ls_R_factor_gt           0.0188
_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^)+(0.0304P)^2^+0.5255P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0493
_refine_ls_wR_factor_ref         0.0536
_reflns_number_gt                6339
_reflns_number_total             6612
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2813.cif
_cod_data_source_block           I
_cod_database_code               2219866
_cod_database_fobs_code          2219866