Crystallography Open Database

Information card for entry 1516444

Preview

Coordinates	1516444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H38 Cl3 La O15
Calculated formula	C10 H38 Cl3 La O15
SMILES	[La]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O1CCOCCOCCOCCOCC1.[Cl-].[Cl-].[Cl-]
Title of publication	Optical Spectra and Crystal-Field Levels of [Cm(H2O)9]3+Ions withC3hSymmetry in Isotypic Rare-Earth Triflate and Ethyl Sulfate Salts
Authors of publication	Lindqvist-Reis, Patric; Walther, Clemens; Klenze, Reinhardt; Edelstein, Norman M.
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2009
Journal volume	113
Journal issue	1
Pages of publication	449
a	10.7084 ± 0.0014 Å
b	15.3419 ± 0.0019 Å
c	15.984 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2626 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.0774
Goodness-of-fit parameter for all reflections included in the refinement	0.929
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
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.	1516444.cif
114868	2014-05-29	cif/ Adding structures of 1516444 via cif-deposit CGI script.	1516444.cif