Crystallography Open Database

Information card for entry 7122194

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Coordinates	7122194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H128 N2 O25 Ti6
Calculated formula	C70 N2 O25 Ti6
Title of publication	Triphenylamine derived titanium oxo clusters: an approach to effective organic-inorganic hybrid dyes for photoactive electrodes.
Authors of publication	Zou, Dan-Hong; Cui, Li-Na; Liu, Pei-Yi; Yang, Shen; Zhu, Qin-Yu; Dai, Jie
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	71
Pages of publication	9933 - 9936
a	26.227 ± 0.005 Å
b	25.66 ± 0.005 Å
c	29.043 ± 0.014 Å
α	90°
β	105.67 ± 0.03°
γ	90°
Cell volume	18819 ± 11 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.156
Residual factor for significantly intense reflections	0.1005
Weighted residual factors for significantly intense reflections	0.1631
Weighted residual factors for all reflections included in the refinement	0.1861
Goodness-of-fit parameter for all reflections included in the refinement	1.18
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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