Crystallography Open Database

Information card for entry 4341239

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Coordinates	4341239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H128 O24 Ti6
Calculated formula	C66.9996 H128 O24 Ti6
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	20.5595 ± 0.0002 Å
b	20.5595 ± 0.0002 Å
c	20.5595 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	8690.36 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.1193
Residual factor for significantly intense reflections	0.0855
Weighted residual factors for significantly intense reflections	0.2051
Weighted residual factors for all reflections included in the refinement	0.2346
Goodness-of-fit parameter for all reflections included in the refinement	1.165
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.	4341239.cif
125007	2014-10-07	cif/ Adding structures of 4341239 via cif-deposit CGI script.	4341239.cif