Crystallography Open Database

Information card for entry 7230559

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Coordinates	7230559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105 H127 F9 O52 Ti13
Calculated formula	C105 H117 F9 O52 Ti13
Title of publication	Structures and photophysical performances of (fluoro)salicylate stabilized polyoxo-titanium clusters
Authors of publication	Zhu, Bang-Chang; Fang, Wei-Hui; Emayavaramban, Perumal; Zhang, Lei; Zhang, Jian
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	39
Pages of publication	5964
a	15.582 ± 0.003 Å
b	19.365 ± 0.002 Å
c	22.631 ± 0.004 Å
α	91.544 ± 0.007°
β	92.106 ± 0.015°
γ	93.021 ± 0.013°
Cell volume	6811.9 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1636
Residual factor for significantly intense reflections	0.0925
Weighted residual factors for significantly intense reflections	0.2263
Weighted residual factors for all reflections included in the refinement	0.2754
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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