Information card for entry 4113979

Structure parameters

• Formula: C24 H20 N4 Ni
• Calculated formula: C24 H20 N4 Ni
• Title of publication: Molecular and Electronic Structures of Bis-(o-diiminobenzosemiquinonato)metal(II) Complexes (Ni, Pd, Pt), Their Monocations and -Anions, and of Dimeric Dications Containing Weak Metal-Metal Bonds
• Authors of publication: Diran Herebian; Eberhard Bothe; Frank Neese; Thomas Weyhermüller; Karl Wieghardt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 9116 - 9128
• a: 9.6222 ± 0.0006 Å
• b: 10.288 ± 0.0006 Å
• c: 11.5222 ± 0.0008 Å
• α: 74.3 ± 0.01°
• β: 75.88 ± 0.01°
• γ: 62.74 ± 0.01°
• Cell volume: 966.46 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections: 0.0987
• Weighted residual factors for significantly intense reflections: 0.0858
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No