Crystallography Open Database

Information card for entry 7239531

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Coordinates	7239531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H142 Cd2 N4 O46 Ti17
Calculated formula	C79 H135 Cd2 N4 O46 Ti17
Title of publication	Metal‒phenanthroline fused Ti17 clusters, a single molecular source for sensitized photoconductive films
Authors of publication	Wu, Yin-Yin; Wang, Peng; Wang, Yu-Hong; Jiang, Jian-Bing; Bian, Guo-Qing; Zhu, Qin-Yu; Dai, Jie
Journal of publication	Journal of Materials Chemistry A
Year of publication	2013
Journal volume	1
Journal issue	34
Pages of publication	9862
a	18.802 ± 0.005 Å
b	28.875 ± 0.006 Å
c	23.835 ± 0.006 Å
α	90°
β	96.129 ± 0.005°
γ	90°
Cell volume	12866 ± 5 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
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	0.1051
Residual factor for significantly intense reflections	0.0818
Weighted residual factors for significantly intense reflections	0.1749
Weighted residual factors for all reflections included in the refinement	0.1893
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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