Crystallography Open Database

Information card for entry 4317335

Preview

Structure parameters

Formula	C33 H82 Cl3 Mn2 O17 Ti4
Calculated formula	C33 H82 Cl3 Mn2 O17 Ti4
Title of publication	Single-Source Materials for Metal-Doped Titanium Oxide: Syntheses, Structures, and Properties of a Series of Heterometallic Transition-Metal Titanium Oxo Cages
Authors of publication	Salvador Eslava; Mary McPartlin; Richard I. Thomson; Jeremy M. Rawson; Dominic S. Wright
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	11532 - 11540
a	11.7243 ± 0.0001 Å
b	20.4895 ± 0.0003 Å
c	23.5632 ± 0.0003 Å
α	90°
β	92.182 ± 0.001°
γ	90°
Cell volume	5656.37 ± 0.12 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0886
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1818
Weighted residual factors for all reflections included in the refinement	0.1923
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4317335.html