Crystallography Open Database

Information card for entry 7011334

Preview

Coordinates	7011334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B6 Ba3 H6 O15
Calculated formula	B6 Ba3 H6 O15
Title of publication	Synthesis and X-ray crystal structures of two new alkaline-earth metal borates: SrBO2(OH) and Ba3B6O9(OH)6
Authors of publication	Yu, Zhen-Tao; Shi, Zhan; Chen, Wei; Jiang, Yu-Sheng; Yuan, Hong-Ming; Chen, Jie-Sheng
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	9
Pages of publication	2031
a	6.9868 ± 0.0002 Å
b	7.1366 ± 0.0002 Å
c	11.9209 ± 0.0004 Å
α	90°
β	90.955 ± 0.002°
γ	90°
Cell volume	594.32 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0245
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0515
Weighted residual factors for all reflections included in the refinement	0.0525
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7011334.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011334.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011334.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011334.cif