Information card for entry 7710769

Structure parameters

• Formula: C228 H172 Co4 N22 O55 Zr4
• Calculated formula: C227 H173 Co4 N22 O57 Zr4
• Title of publication: Synthesis of a Zr4(embonate)6–cobalt based superstructure for photocatalytic hydrogen production
• Authors of publication: Teng, Qian; He, Yan-Ping; Chen, Shu-Mei; Zhang, Jian
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 29.2228 ± 0.0004 Å
• b: 23.4628 ± 0.0003 Å
• c: 33.6913 ± 0.0004 Å
• α: 90°
• β: 105.957 ± 0.001°
• γ: 90°
• Cell volume: 22210.3 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.126
• Residual factor for significantly intense reflections: 0.1023
• Weighted residual factors for significantly intense reflections: 0.2685
• Weighted residual factors for all reflections included in the refinement: 0.294
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No