Crystallography Open Database

Information card for entry 4306783

Preview

Coordinates	4306783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H16 B11 Cs
Calculated formula	C9 H16 B11 Cs
Title of publication	Carba-closo-dodecaborates with One or Two Alkynyl Substituents Bonded to Boron
Authors of publication	Maik Finze
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	11857 - 11867
a	13.737 ± 0.003 Å
b	10.231 ± 0.003 Å
c	23.435 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3293.6 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0608
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1266
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
179105 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/67.	4306783.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306783.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306783.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4306783.cif