Information card for entry 7242885

Structure parameters

• Formula: C226 H193 N7 Ni6 O78 Ti12
• Calculated formula: C226 H193 N7 Ni6 O78 Ti12
• 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: 13.2237 ± 0.0002 Å
• b: 15.5692 ± 0.0002 Å
• c: 30.2206 ± 0.0004 Å
• α: 78.592 ± 0.001°
• β: 79.325 ± 0.001°
• γ: 71.855 ± 0.001°
• Cell volume: 5744.39 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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: 0.0527
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No