Crystallography Open Database

Information card for entry 8103280

Preview

Coordinates	8103280.cif

Structure parameters

Common name	Lu(BTC)H2O
Formula	C4.5 H2.5 Lu0.5 O3.5
Calculated formula	C4.5 H1.5 Lu0.5 O3.5
Title of publication	Crystal structure of aqua(benzene-1,3,5-tricarboxylato)lutetium(III), Lu(H2O)(C9H3O6)
Authors of publication	Zhongyue Li; Kun Liu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2012
Journal volume	227
Journal issue	1
Pages of publication	91
a	10.2245 ± 0.0014 Å
b	10.2245 ± 0.0014 Å
c	14.369 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1502.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	91
Hermann-Mauguin space group symbol	P 41 2 2
Hall space group symbol	P 4w 2c
Residual factor for all reflections	0.0407
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	0.548
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8103280.cif
176466	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103280.cif
52245	2012-04-09	../uploads/cif-deposit/cod/cif Adding structures of 8103280 via cif-deposit CGI script.	8103280.cif