Crystallography Open Database

Information card for entry 4331312

Preview

Coordinates	4331312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H20 La N O12
Calculated formula	C8 H14 La N O12
Title of publication	Solid-State and Solution-State Coordination Chemistry of Lanthanide(III) Complexes with α-Hydroxyisobutyric Acid
Authors of publication	Xiao-Yan Chen; George S. Goff; William C. Ewing; Brian L. Scott; Wolfgang Runde
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	13254 - 13263
a	6.2849 ± 0.0004 Å
b	12.5728 ± 0.0007 Å
c	21.7514 ± 0.0013 Å
α	104.398 ± 0.001°
β	91.604 ± 0.001°
γ	92.385 ± 0.001°
Cell volume	1662.04 ± 0.17 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0295
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0718
Weighted residual factors for all reflections included in the refinement	0.0796
Goodness-of-fit parameter for all reflections included in the refinement	1.556
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
179416 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/13.	4331312.cif
80777	2013-04-08	cif/ Adding structures of 4331312 via cif-deposit CGI script.	4331312.cif