Crystallography Open Database

Information card for entry 4111824

Preview

Coordinates	4111824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H26.727 B10 Cl0.566 I0.707
Calculated formula	C10 H26.727 B10 Cl0.566 I0.707
Title of publication	Are Methyl Groups Electron-Donating or Electron-Withdrawing in Boron Clusters? Permethylation of o-Carborane
Authors of publication	Francesc Teixidor; Gemma Barberà; Albert Vaca; Raikko Kivekäs; Reijo Sillanpää; Josep Oliva; Clara Viñas
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	10158 - 10159
a	9.3921 ± 0.0002 Å
b	15.6274 ± 0.0003 Å
c	13.4697 ± 0.0003 Å
α	90°
β	100.947 ± 0.001°
γ	90°
Cell volume	1941.03 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0306
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.0678
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
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
178889 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/18.	4111824.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111824.cif
63436	2012-08-01	cif/ Adding structures of 4111824 via cif-deposit CGI script.	4111824.cif