Crystallography Open Database

Information card for entry 1576215

Preview

Coordinates	1576215.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H117 Co2 N3 O32 P6 Ti6
Calculated formula	C76 H119 Co2 N3 O32 P6 Ti6
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	23.408 ± 0.0001 Å
b	23.7025 ± 0.0002 Å
c	26.6242 ± 0.0002 Å
α	82.849 ± 0.001°
β	70.891 ± 0.001°
γ	61.18 ± 0.001°
Cell volume	12219.1 ± 0.2 Å³
Cell temperature	120 ± 0.2 K
Ambient diffraction temperature	120 ± 0.2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0757
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1558
Weighted residual factors for all reflections included in the refinement	0.1649
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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