Crystallography Open Database

Information card for entry 4333871

Preview

Coordinates	4333871.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Praseodymium(III) Borate Bromide
Formula	B6 Br O13.5 Pr
Calculated formula	B6 Br O13.5 Pr
Title of publication	A New Family of Lanthanide Borate Halides with Unusual Coordination and a New Neodymium-Containing Cationic Framework
Authors of publication	Matthew J. Polinski; Evgeny V. Alekseev; Victoria R. Darling; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1965 - 1975
a	8.1346 ± 0.0012 Å
b	14.819 ± 0.002 Å
c	9.8465 ± 0.0015 Å
α	90°
β	90.153 ± 0.002°
γ	90°
Cell volume	1187 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0322
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0567
Weighted residual factors for all reflections included in the refinement	0.0591
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4333871.cif
99679	2014-02-03	cif/ Adding structures of 4333871 via cif-deposit CGI script.	4333871.cif