Crystallography Open Database

Information card for entry 4348178

Preview

Coordinates	4348178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H238 Co2 N2 O68 Ti22
Calculated formula	C102 H238 Co2 N2 O68 Ti22
Title of publication	Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.
Authors of publication	Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	17
Pages of publication	8493 - 8501
a	26.935 ± 0.017 Å
b	13.625 ± 0.007 Å
c	26.06 ± 0.01 Å
α	90°
β	112.47 ± 0.04°
γ	90°
Cell volume	8838 ± 8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.1703
Residual factor for significantly intense reflections	0.0947
Weighted residual factors for significantly intense reflections	0.2387
Weighted residual factors for all reflections included in the refinement	0.2894
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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