Crystallography Open Database

Information card for entry 4348117

Preview

Coordinates	4348117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C176 H360 I8 O112 Ti44
Calculated formula	C176 H360 I7.9999 O112 Ti44
Title of publication	A Post-Functionalizable Iso-Polyoxotitanate Cage Cluster.
Authors of publication	Hou, Jie; Hu, Junyi; Sun, Qing; Zhang, Guanyun; Tung, Chen-Ho; Wang, Yifeng
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	14
Pages of publication	7075 - 7078
a	19.322 ± 0.007 Å
b	26.242 ± 0.01 Å
c	31.425 ± 0.012 Å
α	95.039 ± 0.004°
β	90.2 ± 0.004°
γ	107.814 ± 0.004°
Cell volume	15104 ± 10 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 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	0.2647
Residual factor for significantly intense reflections	0.1486
Weighted residual factors for significantly intense reflections	0.3372
Weighted residual factors for all reflections included in the refinement	0.4092
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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/4348117.html