Crystallography Open Database

Information card for entry 4340305

Preview

Coordinates	4340305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H96 O24 Ti6
Calculated formula	C96 H96 O24 Ti6
Title of publication	Robust Molecular Crystals of Titanium(IV)-oxo-Carboxylate Clusters Showing Water Stability and CO2 Sorption Capability.
Authors of publication	Hong, Keunil; Bak, Woojeong; Chun, Hyungphil
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	14
Pages of publication	7288 - 7293
a	12.152 ± 0.002 Å
b	13.18 ± 0.003 Å
c	15.218 ± 0.003 Å
α	96.18 ± 0.03°
β	110.66 ± 0.03°
γ	92.05 ± 0.03°
Cell volume	2260.2 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0517
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1366
Weighted residual factors for all reflections included in the refinement	0.1412
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.65999 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4340305.cif
121212	2014-08-05	cif/ Updating files of 4340303, 4340304, 4340305, 4340306 Original log message: Adding full bibliography for 4340303--4340306.cif.	4340305.cif
118800	2014-07-01	cif/ Adding structures of 4340303, 4340304, 4340305, 4340306 via cif-deposit CGI script.	4340305.cif