Crystallography Open Database

Information card for entry 7044998

Preview

Coordinates	7044998.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H86 N18 Ni3 O67 Sb2 W18
Calculated formula	C108 H86 N18 Ni3 O67 Sb2 W18
SMILES	[W]1234(O[W]567(O[W]89(O1)(=O)O[W]1%10%11(O[W]%12%13(O5)(O[W]5%14(O6)(O[W]6%15(O2)(O[W]2%16(O3)(O[W]3(O8)(=O)(O1)[O]9%10[Sb]([Sb]18[O]9%10[W]%17%18(O%16)(O[W]%16%19(O3)(O[W]3%20(O%11)(O[W]%11%21(O%13)(O[W]%13%22(O%14)(O[W]9(O%15)(=O)(O%17)O[W]9%10(O%18)(O[W]([O]8%11%13)(O%21)(O%22)(O[W](=O)([O]1%163)(O%20)(O%19)O9)=O)=O)=O)=O)=O)=O)=O)([O]462)[O]7%125)=O)=O)=O)=O)=O)=O)=O.[Ni]123([n]4cccc5c4c4[n]1cccc4cc5)([n]1cccc4c1c1[n]2cccc1cc4)[n]1cccc2c1c1[n]3cccc1cc2.[Ni]123([n]4cccc5c4c4[n]1cccc4cc5)([n]1cccc4c1c1[n]2cccc1cc4)[n]1cccc2c1c1[n]3cccc1cc2.[Ni]123([n]4cccc5c4c4[n]1cccc4cc5)([n]1cccc4c1c1[n]2cccc1cc4)[n]1cccc2c1c1[n]3cccc1cc2.O.O.O.O.O.O.O
Title of publication	Two novel Dawson-like tungstoantimonates with difunctional photocatalytic and magnetic properties.
Authors of publication	Shi, Lin; Gao, Xiao-Mei; Liu, Ting-Yu; Huang, Xiao-Hui; Gong, Zhi-Hui; Chen, Yi-Ping; Sun, Yan-Qiong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	4
Pages of publication	1347 - 1354
a	13.8933 ± 0.0012 Å
b	33.825 ± 0.003 Å
c	30.729 ± 0.003 Å
α	90°
β	91.389 ± 0.001°
γ	90°
Cell volume	14437 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.103
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1812
Weighted residual factors for all reflections included in the refinement	0.2062
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
229526 (current)	2019-11-17	cif/ Updating files of 7044998, 7044999 Original log message: Adding full bibliography for 7044998--7044999.cif.	7044998.cif
204100	2017-12-09	cif/ Adding structures of 7044998, 7044999 via cif-deposit CGI script.	7044998.cif