Crystallography Open Database

Information card for entry 4503076

Preview

Coordinates	4503076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H60 Cu2 N8 O82.5 V2 W18 Y
Calculated formula	C44 H32 Cu2 N8 O82.5 V2 W18 Y
Title of publication	Novel Tungstovanadate Wells−Dawson Organic‒Inorganic Heteropolyoxometalate Compound: Synthesis and Crystal Structure of [Cu2(2,2′-bipy)2(Inic)2(H2O)2][Y(Inic)2(H2O)5]H3[V2W18O62]·5.5H2O (Where 2,2′-bipy = 2,2′-Bipyridine, Inic = γ-Picolinic Acid)
Authors of publication	Wang, Jingping; Li, Suzhi; Shen, Yue; Niu, Jingyang
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	2
Pages of publication	372
a	15.061 ± 0.004 Å
b	19.05 ± 0.005 Å
c	18.765 ± 0.005 Å
α	90°
β	106.909 ± 0.004°
γ	90°
Cell volume	5151 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0728
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	0.976
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4503076.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4503076.cif
41332	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503076 via cif-deposit CGI script.	4503076.cif