Crystallography Open Database

Information card for entry 7111137

Preview

Coordinates	7111137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C B4 Cl6 O
Calculated formula	C B4 Cl6 O
SMILES	[B](B(Cl)Cl)(C#[O])(B(Cl)Cl)B(Cl)Cl
Title of publication	Synthesis and structures of carbonyl adducts of the boranes B(BX2)3 (X = F, Cl)
Authors of publication	Jeffery, John C.; Norman, Nicholas C.; Pardoe, Jennifer A. J.; Timms, Peter L.
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	23
Pages of publication	2367
a	11.15 ± 0.005 Å
b	11.15 ± 0.005 Å
c	7.586 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	816.8 ± 0.7 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 2 K
Number of distinct elements	4
Space group number	160
Hermann-Mauguin space group symbol	R 3 m :H
Hall space group symbol	R 3 -2"
Residual factor for all reflections	0.0417
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	0.973
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180225 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/11.	7111137.cif
96260	2014-01-29	cif/ Adding structures of 7111136, 7111137 via cif-deposit CGI script.	7111137.cif