Crystallography Open Database

Information card for entry 4309495

Preview

Coordinates	4309495.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Nd(bta)(H2O)2]-4.35(H2O)
Formula	C12 H21.69 Nd O12.35
Calculated formula	C12 H9 Nd O12.345
Title of publication	Syntheses, Structures, and Luminescent and Magnetic Properties of Novel Three-Dimensional Lanthanide Complexes with 1,3,5-Benzenetriacetate
Authors of publication	Zheng-Hua Zhang; Taka-aki Okamura; Yasuchika Hasegawa; Hiroyuki Kawaguchi; Ling-Yan Kong; Wei-Yin Sun; Norikazu Ueyama
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	6219 - 6227
a	8.4735 ± 0.0007 Å
b	10.8836 ± 0.0009 Å
c	11.1301 ± 0.0002 Å
α	64.333 ± 0.019°
β	80.33 ± 0.03°
γ	73.76 ± 0.02°
Cell volume	886.94 ± 0.19 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1227
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179132 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/94.	4309495.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309495.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309495.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309495.cif