Stabilization of Triaryltin(IV) Cations Containing an O,C,O-Coordinating Pincer-Type Ligand. Isolation of a New [Ag(1-CB11H12)3]2-Anion
Kašná, Blanka; Jambor, Roman; Dostál, Libor; Císařová, Ivana; Holeček, Jaroslav; Štíbr, Bohumil; Organometallics 25 (2006) 5139–; doi:10.1021/om060516c

data_4074283
_publ_section_title
;
 Stabilization of Triaryltin(IV) Cations Containing an O,C,O-Coordinating
 Pincer-Type Ligand. Isolation of a New [Ag(1-CB11H12)3]2-Anion
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              5139
_journal_paper_doi               10.1021/om060516c
_journal_volume                  25
_journal_year                    2006
_chemical_compound_source        'synthesized by the authors'
_chemical_formula_moiety         'C3 H36 Ag B33, 2(C22 H23 O2 Sn)'
_chemical_formula_sum            'C47 H82 Ag B33 O4 Sn2'
_chemical_formula_weight         1413.11
_chemical_name_systematic
; 
 ? 
;
_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                 104.4030(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.64400(10)
_cell_length_b                   20.5290(2)
_cell_length_c                   22.6440(2)
_cell_measurement_reflns_used    45461
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1
_cell_volume                     6593.44(10)
_computing_cell_refinement       'COLLECT and DENZO'
_computing_data_collection
'COLLECT (Hooft, 1998) and DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction        'COLLECT and DENZO'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      180(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Nonius KappaCCD area detector'
_diffrn_measurement_method       '\f and \w scans to fill the Ewald sphere'
_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  0.0375
_diffrn_reflns_av_sigmaI/netI    0.0231
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            60566
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.42
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.087
_exptl_absorpt_correction_T_max  0.807
_exptl_absorpt_correction_T_min  0.726
_exptl_absorpt_correction_type   multiscans
_exptl_absorpt_process_details   '(SORTAV; Blessing 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2832
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.673
_refine_diff_density_min         -1.587
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     398
_refine_ls_number_reflns         7540
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0285
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0357P)^2^+10.0854P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0728
_refine_ls_wR_factor_ref         0.0757
_reflns_number_gt                6680
_reflns_number_total             7540
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om060516csi20060613_035908.cif
_cod_data_source_block           2-sn-1-jambor-sort
_cod_original_cell_volume        6593.43(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4074283