Crystallography Open Database

Information card for entry 4334986

Preview

Coordinates	4334986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H15.3 B11 Cl10 Cs N3 O1.15
Calculated formula	C11 H15.302 B11 Cl10 Cs N3 O1.151
Title of publication	Click-Like Reactions with the Inert HCB11Cl11- Anion Lead to Carborane-Fused Heterocycles with Unusual Aromatic Character
Authors of publication	James H. Wright; Christos E. Kefalidis; Fook S. Tham; Laurent Maron; Vincent Lavallo
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6223 - 6229
a	10.1064 ± 0.0003 Å
b	16.4179 ± 0.0005 Å
c	17.9612 ± 0.0005 Å
α	90°
β	99.269 ± 0.001°
γ	90°
Cell volume	2941.31 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0236
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.047
Weighted residual factors for all reflections included in the refinement	0.0485
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4334986.cif
100872	2014-02-07	cif/ Adding structures of 4334986 via cif-deposit CGI script.	4334986.cif