Crystallography Open Database

Information card for entry 7043592

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Coordinates	7043592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H88 O22 Ti6
Calculated formula	C56 H76 O22 Ti6
Title of publication	The effects of transition-metal doping and chromophore anchoring on the photocurrent response of titanium-oxo-clusters
Authors of publication	Yang, Shen; Su, Hu-Chao; Hou, Jin-Le; Luo, Wen; Zou, Dan-Hong; Zhu, Qin-Yu; Dai, Jie
Journal of publication	Dalton Trans.
Year of publication	2017
a	20.749 ± 0.004 Å
b	13.908 ± 0.003 Å
c	24.407 ± 0.005 Å
α	90°
β	104.01 ± 0.03°
γ	90°
Cell volume	6834 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0765
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1464
Weighted residual factors for all reflections included in the refinement	0.154
Goodness-of-fit parameter for all reflections included in the refinement	1.163
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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