Information card for entry 1576217

Structure parameters

• Formula: C76 H118 Co2 N2 O32 P6 Ti6
• Calculated formula: C76 H118 Co2 N2 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: 15.5362 ± 0.0003 Å
• b: 16.5431 ± 0.0003 Å
• c: 20.2811 ± 0.0003 Å
• α: 99.423 ± 0.001°
• β: 106.406 ± 0.002°
• γ: 100.218 ± 0.002°
• Cell volume: 4793.16 ± 0.16 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 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: 0.0808
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1755
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No