Crystallography Open Database

Information card for entry 4126916

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Coordinates	4126916.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 Cl18.66 Cs3 N6 O69 Ti12
Calculated formula	C24 Cl18.6667 Cs3 N6 O69 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	13.9221 ± 0.001 Å
b	23.0542 ± 0.0015 Å
c	17.7342 ± 0.0012 Å
α	90°
β	96.626 ± 0.001°
γ	90°
Cell volume	5654 ± 0.7 Å³
Cell temperature	173 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1125
Residual factor for significantly intense reflections	0.0866
Weighted residual factors for significantly intense reflections	0.2441
Weighted residual factors for all reflections included in the refinement	0.2713
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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