Reversible Alkene Insertion into the Pd-N Bond of Pd(II)-Sulfonamidates and Implications for Catalytic Amidation Reactions
Paul B. White; Shannon S. Stahl; Journal of the American Chemical Society 133 (2011) 18594–18597; doi:10.1021/ja208560h

data_4107140
_publ_contact_author_address
;
Department of Chemistry
University of Wisconsin-Madison
1101 University Ave
Madison, WI  53706
USA
;
_publ_contact_author_email       iguzei@chem.wisc.edu
_publ_contact_author_fax         608-262-0381
_publ_contact_author_name
;
Guzei, Ilia A. 
;
_publ_contact_author_phone       608-263-4694
_publ_section_title
;
 Reversible Alkene Insertion into the Pd-N Bond of Pd(II)-Sulfonamidates
 and Implications for Catalytic Amidation Reactions
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              18594
_journal_page_last               18597
_journal_paper_doi               10.1021/ja208560h
_journal_volume                  133
_journal_year                    2011
_chemical_formula_moiety         'C31.50 H41.50 Cl N3 O2 Pd S'
_chemical_formula_sum            'C31.5 H41.5 Cl N3 O2 Pd S'
_chemical_formula_weight         668.09
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_audit_creation_method
;
manual editing of the CIF file 
created by SHELXTL Ver. 6.10
and processed with modiCIfer-03272007. 
;
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_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       '0.50\% \w and 0.5 \% \f scans'
_diffrn_radiation_monochromator  graphite
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;
SADABS  (Bruker-AXS, 2007)
;
_exptl_crystal_colour            orange
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'calc w=1/[\s^2^(Fo^2^)+(0.0348P)^2^+9.1498P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ja208560h_si_003.cif
_cod_data_source_block           stahl85
_cod_original_sg_symbol_Hall     '-P 2ybc     '
_cod_original_sg_symbol_H-M      'P 1 21/c 1 '
_cod_original_formula_sum        'C31.50 H41.50 Cl N3 O2 Pd S'
_cod_database_code               4107140