Crystallography Open Database

Information card for entry 4341241

Preview

Coordinates	4341241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.5 H76 O16 Ti4
Calculated formula	C39.4994 H75.9982 O16 Ti4
Title of publication	The Structural Conversion of Multinuclear Titanium(IV) μ-Oxo-complexes
Authors of publication	Radtke, Aleksandra; Piszczek, Piotr; Muzioł, Tadeusz; Wojtczak, Andrzej
Journal of publication	Inorganic Chemistry
Year of publication	2014
Pages of publication	141006083028009
a	12.962 ± 0.003 Å
b	16.979 ± 0.003 Å
c	13.317 ± 0.003 Å
α	90°
β	104.16 ± 0.03°
γ	90°
Cell volume	2841.8 ± 1.1 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 2 K
Number of distinct elements	4
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	0.0876
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for significantly intense reflections	0.222
Weighted residual factors for all reflections included in the refinement	0.2399
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
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
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.	4341241.cif
125009	2014-10-07	cif/ Adding structures of 4341241 via cif-deposit CGI script.	4341241.cif