Crystallography Open Database

Information card for entry 1563007

Preview

Coordinates	1563007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H22 N12 Nd2 O14
Calculated formula	C9 H22 N12 Nd2 O14
Title of publication	Nd(III) and Dy(III) coordination compounds based on 1H-tetrazolate-5-acetic acid ligands: Synthesis, crystal structures and catalytic properties
Authors of publication	Li, Qiao-Yun; Chen, Dian-Yu; He, Ming-Hua; Yang, Gao-Wen; Shen, Lei; Zhai, Chun; Shen, Wei; Gu, Kun; Zhao, Jing-Jing
Journal of publication	Journal of Solid State Chemistry
Year of publication	2012
Journal volume	190
Pages of publication	196 - 201
a	9.601 ± 0.002 Å
b	10.38 ± 0.002 Å
c	14.231 ± 0.007 Å
α	70.191 ± 0.004°
β	73.936 ± 0.005°
γ	86.331 ± 0.004°
Cell volume	1281.5 ± 0.7 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.0578
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0506
Weighted residual factors for all reflections included in the refinement	0.0527
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
265633 (current)	2021-05-31	cif/ Adding structures of 1563007, 1563008 via cif-deposit CGI script.	1563007.cif