Crystallography Open Database

Information card for entry 4112990

Preview

Coordinates	4112990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H36 B6 Cr O2
Calculated formula	C8 H36 B6 Cr O2
SMILES	[BH2]12[BH2]3[BH2]1([H]3)[H]2.C(C)[O](CC)[Cr][O](CC)CC.[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	7.0764 ± 0.0017 Å
b	16.985 ± 0.004 Å
c	7.985 ± 0.002 Å
α	90°
β	110.589 ± 0.004°
γ	90°
Cell volume	898.4 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
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	0.0871
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	0.924
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.	4112990.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112990.cif
65409	2012-09-05	cif/ Adding structures of 4112990 via cif-deposit CGI script.	4112990.cif