Alkene-alkyl interconversion: an experimental and computational study of the olefin insertion and β-hydride elimination processes.
Azpeitia, S.; Prieto, U.; San Sebastián, E; Rodríguez-Diéguez, A; Garralda, M. A.; Huertos, M. A.; Dalton transactions (Cambridge, England : 2003) 47 (2018) 6808–6818; doi:10.1039/c8dt00448j

data_7046122
_publ_section_title
;
 Alkene-alkyl interconversion: an experimental and computational study of
 the olefin insertion and \b-hydride elimination processes.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6808
_journal_page_last               6818
_journal_paper_doi               10.1039/c8dt00448j
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C55 H41 B F23.71 Ir S2 Si'
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_space_group_name_Hall           '-P 1'
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_audit_update_record
;
2017-07-30 deposited with the CCDC.
2018-04-26 downloaded from the CCDC.
;
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_computing_publication_material  'SHELXL-2016/6 (Sheldrick, 2016)'
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_computing_structure_solution    'SHELXS-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_device_type  'Bruker D8 Venture'
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_type   empirical
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1460P)^2^+43.5503P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2320
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_reflns_number_total             14426
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt00448j2.cif
_cod_data_source_block           Compound6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7046120--7046122.cif.
;
_cod_database_code               7046122
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              39403