A Carbene Analogue with Low-Valent Gallium as a Heteroatom in a quasi-Aromatic Imidazolate Anion
Eva S. Schmidt; Alexander Jockisch; Hubert Schmidbaur; Journal of the American Chemical Society 121 (1999) 9758–9759; doi:10.1021/ja9928780

data_4116563
_publ_contact_author
;
   Prof. Dr. H. Schmidbaur
   Anorganisch-chemisches Institut
   der Technischen Universit\"at M\"unchen
   Lichtenbergstra\"se 4
   D-85747 Garching
   Germany
;
_publ_contact_author_email       H.Schmidbaur@lrz.tum.de
_publ_contact_author_fax         '++49 89 2891-3125'
_publ_contact_author_phone       '++49 89 2891-3130'
_publ_section_title
;
 A Carbene Analogue with Low-Valent Gallium as a Heteroatom in a
 quasi-Aromatic Imidazolate Anion
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9758
_journal_page_last               9759
_journal_paper_doi               10.1021/ja9928780
_journal_volume                  121
_journal_year                    1999
_chemical_formula_sum            'C30 H60 Ga K N2 O8'
_chemical_formula_weight         685.62
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
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_cell_angle_gamma                88.51(2)
_cell_formula_units_Z            1
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_cell_length_c                   10.318(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    143(2)
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_cell_measurement_theta_min      13
_cell_volume                     927.7(4)
_computing_cell_refinement       'CAD4 Software (Enraf-Nonius 1989)'
_computing_data_collection       'CAD4 Software (Enraf-Nonius 1989)'
_computing_data_reduction        'SDP-PLUS (Enraf-Nonius 1988)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  'local programs '
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      143(2)
_diffrn_measured_fraction_theta_full 0.837
_diffrn_measured_fraction_theta_max 0.837
_diffrn_measurement_device_type  'Enraf-Nonius CAD4 '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8192
_diffrn_reflns_theta_full        28.99
_diffrn_reflns_theta_max         28.99
_diffrn_reflns_theta_min         2.16
_diffrn_standards_decay_%        cadshel
_exptl_absorpt_coefficient_mu    0.898
_exptl_absorpt_correction_type   no
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.227
_exptl_crystal_description       'transparent block '
_exptl_crystal_F_000             368
_exptl_crystal_size_max          0.4
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_exptl_crystal_size_min          0.3
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         4122
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_refine_ls_R_factor_all          0.0717
_refine_ls_R_factor_gt           0.0336
_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^)+(0.0445P)^2^+0.0719P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0751
_refine_ls_wR_factor_ref         0.0857
_reflns_number_gt                2838
_reflns_number_total             4122
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja9928780_1.cif
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_cod_original_cell_volume        927.7(3)
_cod_database_code               4116563