Cobalt-Catalyzed [2π + 2π] Cycloadditions of Alkenes: Scope, Mechanism, and Elucidation of Electronic Structure of Catalytic Intermediates.
Schmidt, Valerie A.; Hoyt, Jordan M.; Margulieux, Grant W.; Chirik, Paul J.; Journal of the American Chemical Society 137 (2015) 7903–7914; doi:10.1021/jacs.5b04034

data_4123824
_publ_section_title
;
 Cobalt-Catalyzed [2\p + 2\p] Cycloadditions of Alkenes: Scope, Mechanism,
 and Elucidation of Electronic Structure of Catalytic Intermediates.
;
_journal_issue                   24
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7903
_journal_page_last               7914
_journal_paper_doi               10.1021/jacs.5b04034
_journal_volume                  137
_journal_year                    2015
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_computing_molecular_graphics    'ORTEP 3 (Farraguia, 1997)'
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            green
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_exptl_crystal_description       shard
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_platon_squeeze_details
;
0.5 molecule of pentane solvate per asymmetric unit was treated
as a diffuse contribution to the overall scattering through the
use of platon/squeeze.
;
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0592P)^2^+1.6047P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1293
_refine_ls_wR_factor_ref         0.1314
_reflns_number_gt                6316
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_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ja5b04034_si_002.cif
_cod_data_source_block           vs3_C5H9PDICoN2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/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 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4123821--4123825.cif.
;
_cod_original_cell_volume        1905.24(7)
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               4123824