Crystallography Open Database

Information card for entry 4328485

Preview

Coordinates	4328485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H4 F10 N2
Calculated formula	C15 H4 F10 N2
Title of publication	Highly Fluorinated Aryl-Substituted Tris(indazolyl)borate Thallium Complexes: Diverse Regiochemistry at the B-N Bond
Authors of publication	Wilfried-Solo Ojo; Kane Jacob; Emmanuelle Despagnet-Ayoub; Bianca K. Muñoz; Sergio Gonell; Laure Vendier; Viet-Hoang Nguyen; Michel Etienne
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2893 - 2901
a	12.6031 ± 0.001 Å
b	7.5208 ± 0.0006 Å
c	15.6167 ± 0.0015 Å
α	90°
β	109.848 ± 0.01°
γ	90°
Cell volume	1392.3 ± 0.2 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0964
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.1742
Weighted residual factors for all reflections included in the refinement	0.1881
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179387 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/84.	4328485.cif
77463	2013-03-28	cif/ Adding structures of 4328485 via cif-deposit CGI script.	4328485.cif