Crystallography Open Database

Information card for entry 4112988

Preview

Coordinates	4112988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H32 B6 Cr O2
Calculated formula	C8 H32 B6 Cr O2
SMILES	[BH2]12[BH2]3[BH2]1([H]3)[H]2.C1CCC[O]1[Cr][O]1CCCC1.[BH2]12[BH2]3[BH2]1([H]3)[H]2
Title of publication	A New Class of CVD Precursors to Metal Borides: Cr(B3H8)2 and Related Octahydrotriborate Complexes
Authors of publication	Dean M. Goedde; Gregory S. Girolami
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	12230 - 12231
a	9.2238 ± 0.0016 Å
b	8.7248 ± 0.0015 Å
c	11.0292 ± 0.0019 Å
α	90°
β	102.597 ± 0.003°
γ	90°
Cell volume	866.2 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
178900 (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 4/11/29.	4112988.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112988.cif
65407	2012-09-05	cif/ Adding structures of 4112988 via cif-deposit CGI script.	4112988.cif