Information card for entry 4341374

Structure parameters

• Formula: C42 H50 N4 Ni2
• Calculated formula: C42 H50 N4 Ni2
• SMILES: [Ni]1234[Ni]56([N](=C(c7[n]5c5[n]2c(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)ccc5cc7)C)c1c(cccc1C(C)C)C(C)C)[CH]1=C[CH]4=[CH]3C=[CH]61
• Title of publication: Dinuclear nickel complexes in five States of oxidation using a redox-active ligand.
• Authors of publication: Zhou, You-Yun; Hartline, Douglas R.; Steiman, Talia J.; Fanwick, Phillip E.; Uyeda, Christopher
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 11770 - 11777
• a: 37.6344 ± 0.0014 Å
• b: 37.6344 ± 0.0014 Å
• c: 14.6022 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 17911 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No