Crystallography Open Database

Information card for entry 4311716

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Coordinates	4311716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16.5 H48 O33.5 Ti4
Calculated formula	C15.989 H23.663 O33.247 Ti4
Title of publication	Unprecedented Oxo-Titanium Citrate Complex Precipitated from Aqueous Citrate Solutions, Exhibiting a Novel Bilayered Ti8O10 Structural Core
Authors of publication	Tim Kemmitt; Najeh I. Al-Salim; Graeme J. Gainsford; Andrea Bubendorfer; Mark Waterland
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6300 - 6306
a	30.775 ± 0.007 Å
b	30.775 ± 0.007 Å
c	14.528 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	13759 ± 8 Å³
Cell temperature	168 ± 2 K
Ambient diffraction temperature	168 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0919
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1037
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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

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