Crystallography Open Database

Information card for entry 1550792

Preview

Coordinates	1550792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H99 As2 Mo12 N4 Na Ni2 O86 Rb2
Calculated formula	C16 H34 As2 Mo12 N4 Na Ni2 O86 Rb2
Title of publication	Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants
Authors of publication	Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie
Journal of publication	Catalysis Science & Technology
Year of publication	2019
a	13.842 ± 0.0004 Å
b	23.8125 ± 0.0008 Å
c	14.9785 ± 0.0006 Å
α	90°
β	113.996 ± 0.002°
γ	90°
Cell volume	4510.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0678
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
214347 (current)	2019-03-27	cif/ Adding structures of 1550781, 1550782, 1550783, 1550784, 1550785, 1550786, 1550787, 1550788, 1550789, 1550790, 1550791, 1550792 via cif-deposit CGI script.	1550792.cif