Information card for entry 2006876

Structure parameters

• Chemical name: (2,4,6,9,11-pentamethyl-5,8-diazadodeca-4,8-diene-2,11- diamine)nickel(II) tetrachlorozincate
• Formula: C15 H32 Cl4 N4 Ni Zn
• Calculated formula: C15 H32 Cl4 N4 Ni Zn
• SMILES: [Ni]123[NH2]C(C)(C)CC(C)=[N]1C(C)C[N]2=C(C)CC(C)(C)[NH2]3.[Zn](Cl)(Cl)([Cl-])[Cl-]
• Title of publication: A Nickel(II) Compound with a Tetradentate Diamine‒Diimine Ligand, (2,4,6,9,11-Pentamethyl-5,8-diazadodeca-4,8-diene-2,11-diamine)nickel(II) Tetrachlorozincate
• Authors of publication: Gladkikh, Olga P.; Curtis, Neil F.; Heath, Sarah L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1770 - 1772
• a: 9.3718 ± 0.0014 Å
• b: 17.085 ± 0.003 Å
• c: 14.351 ± 0.002 Å
• α: 90°
• β: 95.121 ± 0.004°
• γ: 90°
• Cell volume: 2288.7 ± 0.6 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections: 0.1088
• Weighted residual factors for significantly intense reflections: 0.0918
• Goodness-of-fit parameter for all reflections: 1.082
• Goodness-of-fit parameter for significantly intense reflections: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No