Crystallography Open Database

Information card for entry 4515667

Preview

Coordinates	4515667.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H39 As K2 Mn Mo6 N O40
Calculated formula	C17 H17 As K2 Mn Mo6 N O40
Title of publication	Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands
Authors of publication	Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen
Journal of publication	ACS Catalysis
Year of publication	2018
Journal volume	8
Journal issue	7
Pages of publication	6062
a	12.2865 ± 0.0007 Å
b	12.6065 ± 0.0007 Å
c	17.2145 ± 0.0011 Å
α	76.319 ± 0.003°
β	73.933 ± 0.003°
γ	76.064 ± 0.003°
Cell volume	2445.2 ± 0.3 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	0.0398
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1125
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
225802 (current)	2019-11-10	cif/ Adding structures of 4515664, 4515665, 4515666, 4515667, 4515668, 4515669 via cif-deposit CGI script.	4515667.cif