Crystallography Open Database

Information card for entry 7046559

Preview

Structure parameters

Formula	C36 H56 O16 P2 Ti4
Calculated formula	C36 H56 O16 P2 Ti4
Title of publication	Titanium-oxo clusters functionalized with catecholate-type ligands: modulating the optical properties through charge-transfer transitions.
Authors of publication	Lv, Hai-Ting; Li, Hua-Min; Zou, Guo-Dong; Cui, Ying; Huang, Yang; Fan, Yang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	24
Pages of publication	8158 - 8163
a	12.7384 ± 0.0011 Å
b	13.8895 ± 0.0008 Å
c	15.5231 ± 0.0014 Å
α	115.032 ± 0.007°
β	103.585 ± 0.008°
γ	95.731 ± 0.006°
Cell volume	2356.2 ± 0.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1196
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.1877
Weighted residual factors for all reflections included in the refinement	0.2272
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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/7046559.html