Information card for entry 4319457

Structure parameters

• Chemical name: 3A: (nitrato-O)[N,N-bis(1-propan-2-only oxime)-L-methionine N'-methylamide] nickel(II) nitrate 3B: (nitrato-O)(methanol)[N,N-bis(1-propan-2-only oxime)-L-methionine N'-methylamide] nickel(II) nitrate
• Formula: C25 H51 N12 Ni2 O19 S2
• Calculated formula: C25 H51 N12 Ni2 O19 S2
• SMILES: [Ni]1234([S](CC[C@H]([N]2(CC(=[N]3O)C)CC(=[N]4O)C)C(=[O]1)NC)C)ON(=O)=O.[Ni]123([O]=C(NC)[C@@H]([N]1(CC(=[N]2O)C)CC(=[N]3O)C)CCSC)(ON(=O)=O)OC.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Structural and Spectroscopic Studies of the Versatile Coordination Chemistry of the Chiral Ligand N,N-Bis(1-propan-2-onyl oxime)-l-methionine N'-Methylamide with Ni^II^ and Zn^II^
• Authors of publication: Dell T. Rosa; Jeanette A. Krause Bauer; Michael J. Baldwin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1606 - 1613
• a: 10.1231 ± 0.0002 Å
• b: 16.5442 ± 0.0006 Å
• c: 13.6701 ± 0.0005 Å
• α: 90°
• β: 104.446 ± 0.002°
• γ: 90°
• Cell volume: 2217.06 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No