Probing the second dehydrogenation step in ammonia-borane dehydrocoupling: characterization and reactivity of the key intermediate, B-(cyclotriborazanyl)amine-borane
Kalviri, Hassan A.; Gärtner, Felix; Ye, Gang; Korobkov, Ilia; Baker, R. Tom; Chem. Sci. 6 (2015) 618–; doi:10.1039/C4SC02710H

data_1518148
_publ_section_title
;
 Probing the second dehydrogenation step in ammonia-borane
 dehydrocoupling: characterization and reactivity of the key intermediate,
 B-(cyclotriborazanyl)amine-borane
;
_journal_issue                   1
_journal_name_full               'Chem. Sci.'
_journal_page_first              618
_journal_paper_doi               10.1039/C4SC02710H
_journal_volume                  6
_journal_year                    2015
_chemical_formula_sum            'C12 H40 B4 N4 O6'
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'Air-sensitive, Moisture-sensitive, Hygroscopic'
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_exptl_crystal_density_meas      ?
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0464P)^2^+1.8748P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            c4sc02710h2.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/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 2827 2014-09-09 07:05:25Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'n/a' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 1518148--1518149.cif.
;
_cod_original_cell_volume        2201.5(7)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               1518148