Crystallography Open Database

Information card for entry 4341240

Preview

Coordinates	4341240.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H80 O16 Ti4
Calculated formula	C40 H80 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	20.2877 ± 0.001 Å
b	23.6297 ± 0.0012 Å
c	11.5533 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	5538.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0808
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.143
Weighted residual factors for all reflections included in the refinement	0.1684
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
179515 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/12.	4341240.cif
125008	2014-10-07	cif/ Adding structures of 4341240 via cif-deposit CGI script.	4341240.cif