Crystallography Open Database

Information card for entry 4506254

Preview

Coordinates	4506254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H18 N Nd O14 P2
Calculated formula	C6 H18 N Nd O14 P2
Title of publication	Novel Lanthanide(III) Oxalatophosphonates with New Topology: Syntheses, Crystal Structures, Reversible Dehydration/Hydration, and Luminescence Properties
Authors of publication	Zhao, Yan; Jiao, Cheng-Qi; Sun, Zhen-Gang; Zhu, Yan-Yu; Chen, Kai; Wang, Cheng-Lin; Li, Chao; Zheng, Ming-Jing; Tian, Hui; Sun, Shou-Hui; Chu, Wei
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	6
Pages of publication	3191
a	10.9897 ± 0.0009 Å
b	9.1988 ± 0.0008 Å
c	15.2172 ± 0.0012 Å
α	90°
β	93.037 ± 0.001°
γ	90°
Cell volume	1536.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
179598 (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 4/50/62.	4506254.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506254.cif
62215	2012-07-07	cif/ Adding structures of 4506254 via cif-deposit CGI script.	4506254.cif