Information card for entry 4341373

Structure parameters

• Formula: C36 H44 N4
• Calculated formula: C36 H44 N4
• SMILES: N(=C(\c1nc2nc(C(=N\c3c(cccc3C(C)C)C(C)C)\C)ccc2cc1)C)/c1c(cccc1C(C)C)C(C)C
• 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: 8.7224 ± 0.0005 Å
• b: 10.864 ± 0.0009 Å
• c: 17.7067 ± 0.0014 Å
• α: 77.495 ± 0.004°
• β: 79.296 ± 0.004°
• γ: 76.349 ± 0.004°
• Cell volume: 1575.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No