Crystallography Open Database

Information card for entry 1576216

Preview

Coordinates	1576216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H146 N2 O36 P6 Ti8
Calculated formula	C88 H146 N2 O36 P6 Ti8
Title of publication	A Bioinspired Polyoxo-Titanium Cluster for Efficient Photocatalytic CO2 Reduction Assisted by Hydrogen Bonding
Authors of publication	Zhang, Shiming; Zhao, Guoxiang; Yan, Yayu; Li, Qiao-Hong; Zhang, Hai-Xia; Wu, Xin; Zhang, Jian
Journal of publication	Materials Horizons
Year of publication	2025
a	11.33 ± 0.0001 Å
b	12.8285 ± 0.0002 Å
c	19.9795 ± 0.0002 Å
α	93.765 ± 0.001°
β	104.804 ± 0.001°
γ	96.71 ± 0.001°
Cell volume	2774.5 ± 0.06 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0314
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0853
Weighted residual factors for all reflections included in the refinement	0.0859
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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