Crystallography Open Database

Information card for entry 1561670

Preview

Coordinates	1561670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As4 Cl2 K Na12 O179.5 W40
Calculated formula	As4 Cl2 K Na12 O179.5 W40
SMILES	[As]12[O]34[W]567(=O)O[W]89%10(=O)O[W]%11%12(=O)(O5)O[W]5%13%14(O[W]%15%16(O8)(O[W]8(O9)(O[W]3(O6)(O[W]4(=O)(O[W](O%11)(=O)(=O)([O]2%12%13)O%14)(=O)O7)(O[W]2(=O)(O8)(=O)O[W]346(=O)O[W]78(=O)(O2)O[W]29(O[W]%11%12(O7)(=O)O[W]7%13%14(=O)O[W]%17(=O)(O%11)(O3)O[W]3%11(O[W]%18(O%13)([O]%14([As]([O]4%173)[O]89%12)[W](O7)(=O)(O%18)(O2)=O)(=O)O[W]2(O%11)(=O)(=O)O[W]347(O[W]89(=O)(O[W]%11%12([O]%13%14[As]%17[O]48[W]4(O9)(O7)(=O)O[W]789(O[W]%18(O2)(=O)(O3)O[W]2(O[W]3(O[W]%13(O%11)(O2)(O[W]%14(O%12)(O4)(O9)=O)=O)(O[W]249(=O)[O]%11%12[As]%13[O]%14%19[W]%20%21%22(=O)O[W](O5)(O%16)(=O)(=O)O[W]5%16(=O)(O[W]%23%24(=O)(O[W]%11(=O)(=O)(O2)O[W]2%12(O[W]%19(O[W]%14(O3)(O%20)(=O)O9)(=O)(O[W](=O)(O2)(O%23)([O]%135%24)O%16)O%21)(O4)=O)=O)O%22)(=O)=O)(=O)([O]%177%18)O8)=O)(=O)=O)=O)=O)(=O)O6)(=O)=O)=O)(=O)[O]1%10%15)=O)=O.[Cl-].[Cl-].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Regulating the catalytic activity of multi-Ru-bridged polyoxometalates based on differential active site environments with six-coordinate geometry and five-coordinate geometry transitions.
Authors of publication	Li, Huafeng; Chen, Wenjing; Zhao, Yujie; Zou, Yan; Zhao, Xue; Song, Junpeng; Ma, Pengtao; Niu, Jingyang; Wang, Jingping
Journal of publication	Nanoscale
Year of publication	2021
Journal volume	13
Journal issue	17
Pages of publication	8077 - 8086
a	19.178 ± 0.003 Å
b	19.677 ± 0.003 Å
c	30.803 ± 0.005 Å
α	94.414 ± 0.005°
β	98.453 ± 0.005°
γ	116.279 ± 0.004°
Cell volume	10176 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0722
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
266118 (current)	2021-06-05	cif/ Updating files of 1561669, 1561670 Original log message: Adding full bibliography for 1561669--1561670.cif.	1561670.cif
264070	2021-04-13	cif/ Adding structures of 1561669, 1561670 via cif-deposit CGI script.	1561670.cif