Information card for entry 4341377

Structure parameters

• Formula: C39 H47 Br N4 Ni2
• Calculated formula: C39 H47 Br N4 Ni2
• SMILES: [Br]1[Ni]23[Ni]41[N](=C(c1[n]4c4[n]3c(C(=[N]2c2c(cccc2C(C)C)C(C)C)C)ccc4cc1)C)c1c(cccc1C(C)C)C(C)C.c1ccccc1
• 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: 15.5036 ± 0.0006 Å
• b: 16.0481 ± 0.0005 Å
• c: 17.7619 ± 0.0008 Å
• α: 109.523 ± 0.003°
• β: 110.713 ± 0.003°
• γ: 90.321 ± 0.002°
• Cell volume: 3857.3 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2385
• Weighted residual factors for all reflections included in the refinement: 0.2506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No