Crystallography Open Database

Information card for entry 7043593

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Coordinates	7043593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H148 Mn2 O46 Ti12
Calculated formula	C88 H148 Mn2 O46 Ti12
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	14.53 ± 0.003 Å
b	14.214 ± 0.003 Å
c	30.116 ± 0.006 Å
α	90°
β	101 ± 0.03°
γ	90°
Cell volume	6106 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1178
Residual factor for significantly intense reflections	0.0971
Weighted residual factors for significantly intense reflections	0.1642
Weighted residual factors for all reflections included in the refinement	0.1741
Goodness-of-fit parameter for all reflections included in the refinement	1.164
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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