Crystallography Open Database

Information card for entry 7042144

Preview

Coordinates	7042144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H78 Nd3 O101 P2 Ta3 W15
Calculated formula	H44 Nd3 O98.5 P2 Ta3 W15
Title of publication	Lanthanide derivatives of Ta/W mixed-addendum POMs as proton-conducting materials.
Authors of publication	Peng, Qingpo; Li, Shujun; Wang, Ruoya; Liu, Shuxia; Xie, Linhua; Zhai, Jianxin; Zhang, Jie; Zhao, Qianyi; Chen, Xuenian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	13
Pages of publication	4157 - 4160
a	14.2865 ± 0.0008 Å
b	18.8099 ± 0.0011 Å
c	16.7573 ± 0.0009 Å
α	90°
β	109.172 ± 0.0012°
γ	90°
Cell volume	4253.4 ± 0.4 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.074
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1695
Weighted residual factors for all reflections included in the refinement	0.199
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
195071 (current)	2017-04-05	cif/ Updating files of 7042142, 7042143, 7042144, 7042145 Original log message: Adding full bibliography for 7042142--7042145.cif.	7042144.cif
192404	2017-02-21	cif/ Adding structures of 7042142, 7042143, 7042144, 7042145 via cif-deposit CGI script.	7042144.cif