Information card for entry 4115773

Structure parameters

• Formula: C38 H55 Cl2 N7 Ni2 O11
• Calculated formula: C38 H55 Cl2 N7 Ni2 O11
• SMILES: [Ni]1234[O]([Ni]56([O]1C)[n]1ccccc1CC[N]6(CCCCC[N]4(CCc1[n]2cccc1)CCc1[n]3cccc1)CCc1[n]5cccc1)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC.N#CC
• Title of publication: Formation, Characterization, and Reactivity of Bis(μ-oxo)dinickel(III) Complexes Supported by A Series of Bis[2-(2-pyridyl)ethyl]amine Ligands
• Authors of publication: Shinobu Itoh; Hideki Bandoh; Motonobu Nakagawa; Shigenori Nagatomo; Teizo Kitagawa; Kenneth D. Karlin; Shunichi Fukuzumi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 11168 - 11178
• a: 12.1118 ± 0.0002 Å
• b: 33.1982 ± 0.0005 Å
• c: 11.0644 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4448.88 ± 0.11 ų
• Cell temperature: 295.2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.756
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No