Crystallography Open Database

Information card for entry 7205538

7205537 << 7205538 >> 7205539

Preview

Coordinates	7205538.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H5 Cu K4 N O84 P2 Rb4 Sn W19
Calculated formula	C8 H5 Cu K4 N O84 P2 Rb4 Sn W19
Title of publication	Controlled synthesis of a functionalized polytungstate ligand and a {MaMbMc(PW9)2} sandwich complex
Authors of publication	Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Lense, Sheri; Hardcastle, Kenneth I.; Hill, Craig L.
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	3
Pages of publication	738
a	12.071 ± 0.007 Å
b	17.845 ± 0.01 Å
c	24.577 ± 0.013 Å
α	69.222 ± 0.007°
β	80.827 ± 0.008°
γ	70.812 ± 0.008°
Cell volume	4669 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1081
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180386 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/55.	7205538.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205538.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205538.cif
14784	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7205535, 7205536, 7205537, 7205538 via cif-deposit CGI script.	7205538.cif