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_7046120
_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            'C54 H38 B F24 Rh S2 Si'
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   mixed
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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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_cell_volume                     2802.1(3)
_computing_cell_refinement       'Bruker Apex II'
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_computing_structure_solution    'SHELXS-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'Phi and Omega Scans'
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_exptl_absorpt_process_details   'Bruker SADABS (Bruker, 1999)'
_exptl_crystal_colour            white
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1145P)^2^+12.2370P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2043
_refine_ls_wR_factor_ref         0.2415
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9329
_reflns_number_total             14486
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt00448j2.cif
_cod_data_source_block           Compound3
_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               7046120
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              72472