Crystallography Open Database

Information card for entry 7057615

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Coordinates	7057615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H84 O27 Ti8
Calculated formula	C47 H84 O27 Ti8
Title of publication	A photoactive {Ti16} metal‒organic capsule: structural, photoelectrochemical and photocatalytic properties
Authors of publication	Huang, Yang; Zou, Guo-Dong; Li, Hua-Min; Cui, Ying; Fan, Yang
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	17
Pages of publication	14079
a	12.9587 ± 0.0003 Å
b	19.2226 ± 0.0004 Å
c	25.849 ± 0.0005 Å
α	90°
β	93.359 ± 0.001°
γ	90°
Cell volume	6427.9 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1479
Weighted residual factors for all reflections included in the refinement	0.1552
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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