Information card for entry 4314529

Structure parameters

• Formula: C18 H36 Cl2 N6 Ni O10
• Calculated formula: C18 H36 Cl2 N6 Ni O10
• SMILES: [Ni]12345[NH]=C(O[N]1=C(C)CC([NH]2CC[NH]3C(C)(C)CC(=[N]4OC(=[NH]5)C)C)(C)C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Copper(II) and Nickel(II) Complexes of β-Aminoketoxime Ligand: Syntheses, Crystal Structures, Magnetism, and Nickel(II) Templated Coupling of Oxime with Nitrile
• Authors of publication: Oindrila Das; N. N. Adarsh; Ankan Paul; Tapan Kanti Paine
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 541 - 551
• a: 16.8663 ± 0.0006 Å
• b: 13.517 ± 0.0005 Å
• c: 23.746 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5413.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No