Crystallography Open Database

Information card for entry 1550787

Preview

Coordinates	1550787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H83 Cs4 K Mn Mo12 N6 O76 Te2
Calculated formula	C42 H36 Cs4 K Mn Mo12 N6 O76 Te2
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	11.651 ± 0.003 Å
b	12.303 ± 0.004 Å
c	18.63 ± 0.005 Å
α	74.094 ± 0.012°
β	85.386 ± 0.013°
γ	84.132 ± 0.012°
Cell volume	2550.9 ± 1.3 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0556
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1403
Weighted residual factors for all reflections included in the refinement	0.1452
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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.	1550787.cif