Crystallography Open Database

Information card for entry 4512327

Preview

Coordinates	4512327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 B F4 I N2
Calculated formula	C100 H100 B8.32662 F32.909 I10 N20
Title of publication	Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.
Authors of publication	Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	12
Pages of publication	6294 - 6301
a	12.3353 ± 0.0013 Å
b	79.515 ± 0.0008 Å
c	14.7011 ± 0.0016 Å
α	90°
β	113.236 ± 0.01°
γ	90°
Cell volume	13250 ± 2 Å³
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210387 (current)	2018-09-04	cif/4/51/ Updating bibliography in entries 4512310-4512328, 4513661-4513662.	4512327.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4512327.cif
131342	2015-02-07	cif/ Updating files of 4512310, 4512311, 4512312, 4512313, 4512314, 4512315, 4512316, 4512317, 4512318, 4512319, 4512320, 4512321, 4512322, 4512323, 4512324, 4512325, 4512326, 4512327, 4512328 Original log message: Adding full bibliography for 4512310--4512328.cif.	4512327.cif
127351	2014-11-16	cif/ Adding structures of 4512327, 4512328 via cif-deposit CGI script.	4512327.cif