Information card for entry 4115774

Structure parameters

• Formula: C44 H52 Cl2 N6 Ni2 O10
• Calculated formula: C88 H104 Cl2 N12 Ni4 O12
• 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: 10.2036 ± 0.0008 Å
• b: 16.656 ± 0.001 Å
• c: 13.363 ± 0.001 Å
• α: 90°
• β: 105.302 ± 0.003°
• γ: 90°
• Cell volume: 2190.5 ± 0.3 ų
• Cell temperature: 85.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.712
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No