[2,6-Mes2C6H3]2Ga+Li[Al{OCH(CF3)2}4]2- (Mes = 2,4,6-Me3C6H2): A Compound Containing a Linear Unsolvated Two-Coordinate Gallium Cation
Rudolf J. Wehmschulte; Jared M. Steele; Jackie D. Young; Masood A. Khan; Journal of the American Chemical Society 125 (2003) 1470–1471; doi:10.1021/ja029142e

data_4113458
_publ_section_title
;
 [2,6-Mes2C6H3]2Ga+Li[Al{OCH(CF3)2}4]2- (Mes = 2,4,6-Me3C6H2): A Compound
 Containing a Linear Unsolvated Two-Coordinate Gallium Cation
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1470
_journal_page_last               1471
_journal_paper_doi               10.1021/ja029142e
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'C73.5 H59.25 Al2 Cl0.25 F48 Ga Li O8'
_chemical_formula_weight         2121.94
_chemical_name_systematic
; 
 ? 
;
_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                61.1830(10)
_cell_angle_beta                 64.6210(10)
_cell_angle_gamma                75.4100(10)
_cell_formula_units_Z            2
_cell_length_a                   16.4399(8)
_cell_length_b                   18.2990(9)
_cell_length_c                   18.6637(9)
_cell_measurement_reflns_used    7507
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      27.05
_cell_measurement_theta_min      2.21
_cell_volume                     4437.3(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0186
_diffrn_reflns_av_sigmaI/netI    0.0233
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            51778
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         2.31
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.489
_exptl_absorpt_correction_T_max  0.9259
_exptl_absorpt_correction_T_min  0.8437
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Bruker(2001)SADABS,BrukerAXSInc.,Madison,WI
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_description       plate
_exptl_crystal_F_000             2121
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.466
_refine_diff_density_min         -0.304
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1210
_refine_ls_number_reflns         18247
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0565
_refine_ls_R_factor_gt           0.0470
_refine_ls_shift/su_max          0.043
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1050P)^2^+0.7362P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1456
_refine_ls_wR_factor_ref         0.1518
_reflns_number_gt                15215
_reflns_number_total             18247
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja029142e_s2.cif
_cod_data_source_block           rw276bm
_cod_original_formula_sum        'C73.5 H59.25 Al2 Cl0.25 F48 Ga1 Li1 O8'
_cod_database_code               4113458