Crystallography Open Database

Information card for entry 4341070

Preview

Coordinates	4341070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H45 N3 Nd O19.5
Calculated formula	C18 H42 N3 Nd O19.5
Title of publication	Structural and thermodynamic study of the complexes of Nd(III) with N,N,N',N'-tetramethyl-3-oxa-glutaramide and the acid analogues.
Authors of publication	Tian, Guoxin; Teat, Simon J.; Rao, Linfeng
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	18
Pages of publication	9477 - 9485
a	9.5311 ± 0.0007 Å
b	12.2762 ± 0.0009 Å
c	13.5139 ± 0.0008 Å
α	79.568 ± 0.002°
β	80.663 ± 0.002°
γ	87.874 ± 0.002°
Cell volume	1534.42 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0302
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.0673
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4341070.cif
126891	2014-11-12	cif/ Updating files of 4341069, 4341070, 4341071 Original log message: Adding full bibliography for 4341069--4341071.cif.	4341070.cif
123269	2014-09-07	cif/ Adding structures of 4341070 via cif-deposit CGI script.	4341070.cif