Information card for entry 7242884

Structure parameters

• Formula: C82 H67 N Ni2 O28 Ti4
• Calculated formula: C82 H67 N Ni2 O28 Ti4
• Title of publication: Co-crystal of Ti4Ni2 and Ti8Ni4 clusters with enhanced photochemical properties
• Authors of publication: Wang, Chao; Lu, Yong Jun; Rao, Ming Yang; Chen, Ning; Wang, Shou Juan; Kong, Fan Gong
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 24
• Pages of publication: 4402 - 4407
• a: 14.4874 ± 0.0009 Å
• b: 14.58 ± 0.0009 Å
• c: 22.5228 ± 0.0015 Å
• α: 103.963 ± 0.003°
• β: 91.48 ± 0.003°
• γ: 116.861 ± 0.003°
• Cell volume: 4068.4 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0934
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No