Crystallography Open Database

Information card for entry 4348116

Preview

Coordinates	4348116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 I3 O11 Ti3
Calculated formula	C33.0002 I3 O11 Ti3
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	13.102 ± 0.002 Å
b	13.102 ± 0.002 Å
c	49.573 ± 0.016 Å
α	90°
β	90°
γ	120°
Cell volume	7370 ± 3 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	4
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1395
Residual factor for significantly intense reflections	0.1035
Weighted residual factors for significantly intense reflections	0.3112
Weighted residual factors for all reflections included in the refinement	0.3512
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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