Crystallography Open Database

Information card for entry 4126920

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Coordinates	4126920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 Cl20 Cs3 N6 O66 Ti12
Calculated formula	C30 Cl17.5 Cs3 N6 O57.5 Ti12
Title of publication	Titanium-Oxide Host Clusters with Exchangeable Guests.
Authors of publication	Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
a	27.9638 ± 0.0008 Å
b	31.2596 ± 0.0011 Å
c	13.6054 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	11893 ± 0.6 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0791
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1592
Weighted residual factors for all reflections included in the refinement	0.1751
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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