Crystallography Open Database

Information card for entry 7006189

Preview

Coordinates	7006189.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H115 N3 O19 Ti W5
Calculated formula	C55 H116 N3 O19 Ti W5
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	23.8205 ± 0.001 Å
b	17.0064 ± 0.0007 Å
c	17.3076 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	7011.3 ± 0.5 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1.23
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
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.	7006189.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006189.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006189.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7006189.cif