Crystallography Open Database

Information card for entry 1550782

Preview

Coordinates	1550782.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H83 As2 K5 Mo12 N6 Ni O75
Calculated formula	C42 H36 As2 K5 Mo12 N6 Ni O75
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	11.6585 ± 0.0005 Å
b	12.1103 ± 0.0005 Å
c	17.742 ± 0.0007 Å
α	76.859 ± 0.002°
β	89.702 ± 0.003°
γ	84.663 ± 0.003°
Cell volume	2428.46 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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.	1550782.cif