Crystallography Open Database

Information card for entry 7122193

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Coordinates	7122193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H136 N2 O26 Ti6
Calculated formula	C89 H28 N2 O26 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	26.6207 ± 0.0009 Å
b	20.7575 ± 0.0008 Å
c	17.7843 ± 0.0007 Å
α	90°
β	90.493 ± 0.001°
γ	90°
Cell volume	9826.9 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.1371
Residual factor for significantly intense reflections	0.0875
Weighted residual factors for significantly intense reflections	0.1681
Weighted residual factors for all reflections included in the refinement	0.1892
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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