Crystallography Open Database

Information card for entry 4502381

Preview

Coordinates	4502381.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H28 Cl N4 Nd O15
Calculated formula	C14 H22 Cl N4 Nd O15
Title of publication	A Series of Lanthanide Frameworks with a Flexible Ligand,N,N′-Diacetic Acid Imidazolium, in Different Coordination Modes
Authors of publication	Chai, Xiao-Chuan; Sun, Yan-Qiong; Lei, Ran; Chen, Yi-Ping; Zhang, Shuai; Cao, Yan-Ning; Zhang, Han-Hui
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	2
Pages of publication	658
a	8.852 ± 0.005 Å
b	12.22 ± 0.006 Å
c	12.502 ± 0.006 Å
α	90 ± 0.05°
β	105.12 ± 0.09°
γ	100.38 ± 0.1°
Cell volume	1282.6 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0591
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1466
Weighted residual factors for all reflections included in the refinement	0.1525
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
179554 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/23.	4502381.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502381.cif
36375	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502375, 4502376, 4502377, 4502378, 4502379, 4502380, 4502381 via cif-deposit CGI script.	4502381.cif