Crystallography Open Database

Information card for entry 4336680

Preview

Coordinates	4336680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H39 B11 Cl10 Li N3 O6 S
Calculated formula	C24 H39 B11 Cl10 Li N3 O6 S
Title of publication	Observation of Room Temperature B-Cl Activation of the HCB11Cl11- Anion and Isolation of a Stable Anionic Carboranyl Phosphazide
Authors of publication	Allen L. Chan; Javier Fajardo; James H. Wright; Matthew Asay; Vincent Lavallo
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12308 - 12310
a	17.771 ± 0.002 Å
b	19.49 ± 0.002 Å
c	25.163 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	8715.4 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0702
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.0876
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
179469 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/66.	4336680.cif
102687	2014-02-21	cif/ Adding structures of 4336680 via cif-deposit CGI script.	4336680.cif