Crystallography Open Database

Information card for entry 4345330

Preview

Coordinates	4345330.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Lanthanum-pentafluoroethyltricyanoborate
Chemical name	Tris(pentafluoroethyltri(cyano-κC))borat-κN-lanthanum
Formula	C15 B3 F15 La N9
Calculated formula	C15 B3 F15 La N9
Title of publication	Anhydrous, Homoleptic Lanthanide Frameworks with the Pentafluoroethyltricyanoborate Anion.
Authors of publication	Ribbeck, Tatjana; Zottnick, Sven H.; Kerpen, Christoph; Landmann, Johannes; Ignat'ev, Nikolai V.; Müller-Buschbaum, Klaus; Finze, Maik
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	4
Pages of publication	2278 - 2286
a	13.1624 ± 0.0019 Å
b	13.1624 ± 0.0019 Å
c	8.3592 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	1254.2 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0223
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.0542
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
192890 (current)	2017-03-04	cif/ Adding structures of 4345330 via cif-deposit CGI script.	4345330.cif