Information card for entry 7717511

Structure parameters

• Formula: C60 H86 N20 Ni3 O8
• Calculated formula: C60 H86 N20 Ni3 O8
• Title of publication: Neutral nickel complexes with tetradentate N-heterocyclic carbene amidate ligands for electrocatalytic hydrogen evolution.
• Authors of publication: Si, Si; Song, Wenxun; Chen, Jie; Zhang, Weimin; Ji, Wenhua; Nam, Wonwoo; Wang, Bin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 48
• Pages of publication: 19088 - 19092
• a: 11.4069 ± 0.0002 Å
• b: 11.1844 ± 0.0002 Å
• c: 27.0255 ± 0.0006 Å
• α: 90°
• β: 91.711 ± 0.0017°
• γ: 90°
• Cell volume: 3446.36 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No