Halogen Bonding in Host–Guest Compounds: Structures and Kinetics of Enclathration and Desolvation
Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.; Crystal Growth & Design 15 (2015) 3271–; doi:10.1021/acs.cgd.5b00402

data_4513180
_publ_section_title
;
 Halogen Bonding in Host--Guest Compounds: Structures and Kinetics of
 Enclathration and Desolvation
;
_journal_issue                   7
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              3271
_journal_paper_doi               10.1021/acs.cgd.5b00402
_journal_volume                  15
_journal_year                    2015
_chemical_formula_moiety         'C2 H6 I2 C26 H16 Br4'
_chemical_formula_sum            'C28 H22 Br4 I2'
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;
 Bis methyl iodide tetrakis-(4-bromophenyl)ethylene
;
_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           'P 2ac 2ab'
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;
 Refined as an inversion twin.
;
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.1343P)^2^+10.6611P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
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_cod_data_source_block
C:\Users\User\Desktop\LUIGI&~1\TOD8IN~1\TOD8&C~1\tod8ch3i
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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.

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4513177--4513185.cif.
;
_cod_original_cell_volume        3026.0(10)
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