Synthesis, Structures of Benzoxazolyl Iridium(III) Complexes, and Applications on C‒C and C‒N Bond Formation Reactions under Solvent-Free Conditions: Catalytic Activity Enhanced by Noncoordinating Anion without Silver Effect
Wang, Dawei; Zhao, Keyan; Xu, Chongying; Miao, Hongyan; Ding, Yuqiang; ACS Catalysis 4 (2014) 3910–; doi:10.1021/cs5009909

data_4512105
_publ_section_title
;
 Synthesis, Structures of Benzoxazolyl Iridium(III) Complexes, and
 Applications on C--C and C--N Bond Formation Reactions under Solvent-Free
 Conditions: Catalytic Activity Enhanced by Noncoordinating Anion without
 Silver Effect
;
_journal_issue                   11
_journal_name_full               'ACS Catalysis'
_journal_page_first              3910
_journal_paper_doi               10.1021/cs5009909
_journal_volume                  4
_journal_year                    2014
_chemical_formula_sum            'C44 H31 Cl Ir N2 O2 P'
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_chemical_name_systematic
; 
 ? 
;
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_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.093
_exptl_crystal_density_method    'not measured'
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;
;
_refine_diff_density_max         1.176
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0721P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1125
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_reflns_number_gt                9059
_reflns_number_total             10370
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_cod_data_source_file            cs5009909_si_002.cif
_cod_data_source_block           mo_2a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 4512105--4512106.cif.
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_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               4512105