Crystallography Open Database

Information card for entry 7220797

7220796 << 7220797 >> 7220798

Preview

Coordinates	7220797.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Dy2 Fe4 H92 O112 Sb2 W18
Calculated formula	Dy2 Fe4 O112 Sb2 W18
SMILES	O=[W]1234O[W]567(O[W]89%10(O[W]%11%12([O]%131[W]1%14(O4)(=[O][Fe]4([OH2])([OH2])([O]=[W]%15%16%17([O]%18%19[W]%20%21(O[W]%22%23%24([O]%25%26[W]%27%28(=O)(O[W]%29%30(O[W]%18(O%24)(O%21)(=O)O%16)([O]%16([W](O%17)(=[O]4)(O[W]%16(O%27)(O%30)(=[O][Fe]4([O]=[W]%16%25(O%28)(=[O][Fe]%17([O]=[W]%18%21(O[W]%24([O]8([Sb]%13[O]5%18[W](O3)(O7)(O%21)(=[O][Fe]([O]=1)([O]=%16)([O]=%20)([OH2])[OH2])=[O][Dy]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2])[W](O%12)(=O)(O%24)(=[O]4)O9)(O%10)(=[O]%17)=O)(=O)O6)([OH2])([OH2])[OH2])O%23)([O]=%14)([OH2])[OH2])=[O][Dy]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2])(=O)O%29)[Sb]%19%26)=O)O%22)=O)(=O)O%15)=O)=O)O%11)(O2)=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	The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments
Authors of publication	Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	27
Pages of publication	5002
a	12.7569 ± 0.0012 Å
b	13.068 ± 0.0012 Å
c	16.02 ± 0.0015 Å
α	75.273 ± 0.001°
β	74.405 ± 0.001°
γ	75.971 ± 0.001°
Cell volume	2444 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0566
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1271
Weighted residual factors for all reflections included in the refinement	0.1312
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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.	7220797.cif
143430	2015-07-10	cif/ Updating files of 7220795, 7220796, 7220797, 7220798, 7220799 Original log message: Adding full bibliography for 7220795--7220799.cif.	7220797.cif
139377	2015-06-19	cif/ Adding structures of 7220795, 7220796, 7220797, 7220798, 7220799 via cif-deposit CGI script.	7220797.cif