Crystallography Open Database

Information card for entry 7006187

Preview

Coordinates	7006187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H222 N8 O37 Ti2 W10
Calculated formula	C100 H222 N8 O37 Ti2 W10
Title of publication	Non-aqueous synthetic methodology for TiW(5) polyoxometalates: protonolysis of [(MeO)TiW(5)O(18)](3-) with alcohols, water and phenols.
Authors of publication	Errington, R. John; Petkar, Sagar S.; Middleton, Paul S.; McFarlane, William; Clegg, William; Coxall, Robert A.; Harrington, Ross W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	44
Pages of publication	5211 - 5222
a	16.1552 ± 0.0003 Å
b	16.1552 ± 0.0003 Å
c	50.7709 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	13250.7 ± 0.6 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.243
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
179765 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/61.	7006187.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006187.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006187.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7006187.cif