Crystallography Open Database

Information card for entry 1516917

Preview

Coordinates	1516917.cif

Structure parameters

Formula	C12 H19 N3 Nd2 O14
Calculated formula	C12 H19 N3 Nd2 O14
Title of publication	Syntheses, structure, and properties of a series of three-dimensional lanthanide-based hybrid frameworks
Authors of publication	Limin Zhang; Naiqian Yu; Kaihong Zhang; Ruishuo Qiu; Yixuan Zhao; Wencong Rong; Hong Deng
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	400
Pages of publication	67 - 73
a	26.2339 ± 0.0016 Å
b	26.2339 ± 0.0016 Å
c	12.0733 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	8309.1 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.0701
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1516917.cif
119635	2014-07-08	cif/ Adding structures of 1516917 via cif-deposit CGI script.	1516917.cif