Crystallography Open Database

Information card for entry 7221989

7221988 << 7221989 >> 7221990

Preview

Coordinates	7221989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu2 Dy2 H50 K3 Na5 O91 Sb2 W18
Calculated formula	Cu2 Dy2 K3 Na5 O91 Sb2 W18
SMILES	[W]1234(=[O][Cu]56([OH2])[O]=[W]789(O[W]%10%11%12(=[O][Dy]%13%14([OH2])([O]=[W]%15%16([O]%17%18[W]%19%20(=[O][Cu]%21%22([OH2])[O]%23[W]%24%25(=O)(O[W]%26%27%28(O[W]%29([O]5[Dy]5%30%23([O]%24%29)([O]6[W]6%23(O[W]%24%29%31(O[W]%32(O[W]%33%34(=O)(O[W]%35%36(O[W]%37([O]%381[W](O%37)(O4)(=[O]%13)(O[W](O%35)(=O)(O%33)(=[O]%14)[O]%34%36[Sb]%38[O]%23%29%32)=O)(O2)(O%24)=O)(=O)O%31)=[O]%21)([O]56)([O]%22%30)=O)=O)(O3)=O)([OH2])[OH2])(O9)([O]%25%27[Sb]%18[O]7%11[W](O%10)(O8)(O%26)(=O)O[W]%17(O%19)(O%15)(=O)O%28)=O)=O)O%20)(O%16)=O)(O%12)=O)([OH2])([OH2])[OH2])=O)=O)=O.[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Heterometallic 3d-4f Cluster-Containing Polyoxotungstate Obtained by Partial Disassembly of Preformed Large Clusters
Authors of publication	Yao, shuang; Yan, Jinghui; Duan, Hui; Jia, Qianqian; Zhang, Zhi-Ming; Wang, Enbo
Journal of publication	RSC Adv.
Year of publication	2015
a	12.101 ± 0.002 Å
b	18.624 ± 0.004 Å
c	22.956 ± 0.005 Å
α	104.53 ± 0.03°
β	97.88 ± 0.03°
γ	107.7 ± 0.03°
Cell volume	4642 ± 2 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	0.1097
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.1464
Weighted residual factors for all reflections included in the refinement	0.1696
Goodness-of-fit parameter for all reflections included in the refinement	1
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7221989.cif
153933	2015-09-04	cif/ Adding structures of 7221989 via cif-deposit CGI script.	7221989.cif