Crystallography Open Database

Information card for entry 1512129

Preview

Coordinates	1512129.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	octakis(dma)lanthanum(III) triflate
Chemical name	octakis(dma)lanthanum(III) trifluoromethanesulfonate
Formula	C35 H72 F9 La N8 O17 S3
Calculated formula	C35 H72 F9 La N8 O17 S3
Title of publication	On the Structure and Volumetric Properties of Solvated Lanthanoid(III) Ions in Amide Solutions.
Authors of publication	Fuchs, Anna; Lundberg, Daniel; Warmińska, Dorota; Persson, Ingmar
Journal of publication	The journal of physical chemistry. B
Year of publication	2013
Journal volume	117
Journal issue	28
Pages of publication	8502 - 8511
a	12.6284 ± 0.0011 Å
b	25.1469 ± 0.0015 Å
c	17.7155 ± 0.0011 Å
α	90°
β	91.527 ± 0.008°
γ	90°
Cell volume	5623.8 ± 0.7 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1068
Residual factor for significantly intense reflections	0.0952
Weighted residual factors for significantly intense reflections	0.2309
Weighted residual factors for all reflections included in the refinement	0.2454
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512129.cif
87839	2013-08-27	cif/ Adding structures of 1512129 via cif-deposit CGI script.	1512129.cif