A β-Diketiminate-Supported Boron Dication
Dragoslav Vidovic; Michael Findlater; Alan H. Cowley; Journal of the American Chemical Society 129 (2007) 8436–8437; doi:10.1021/ja072865j

data_4109638
_publ_contact_author_address
;
   Department of Chemistry and Biochemistry
   University of Texas-Austin
   1 University Station, A5300
   Austin, TX 78701
   USA 
;
_publ_contact_author_email       cowley@mail.utexas.edu
_publ_contact_author_fax         512-471-6822
_publ_contact_author_name
;
Alan H. Cowley
;
_publ_contact_author_phone       512-471-7710
_publ_section_title
;
 A \b-Diketiminate-Supported Boron Dication
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8436
_journal_page_last               8437
_journal_paper_doi               10.1021/ja072865j
_journal_volume                  129
_journal_year                    2007
_chemical_formula_moiety         'C29 H15 B F16 N4 O6 S2'
_chemical_formula_sum            'C29 H15 B F16 N4 O6 S2'
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_audit_creation_method
;
manual editing of the .cif file 
created by SHELXTL Ver. 6.10 
;
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_computing_data_collection       'Collect software, Nonius B.V. 1998'
_computing_data_reduction
;
DENZO and Scalepack (Otwinoski and Minor, 1997)
;
_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
_computing_structure_refinement  'XL SHELXTL/PC, Siemens Analytical'
_computing_structure_solution
;
SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C., 
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
;
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.976
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_diffrn_measurement_device_type  'Nonius Kappa CCD'
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_diffrn_radiation_monochromator  graphite
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'DENZO and Scalepack (Otwinoski and Minor, 1997)'
_exptl_crystal_colour            yellow
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_refine_diff_density_max         1.402
_refine_diff_density_min         -0.488
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.2818
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_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1310P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                4962
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_reflns_threshold_expression     >2sigma(I)
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