Information card for entry 7005761

Structure parameters

• Common name: (Ni(N-acetyl-(+)-ephedrine)!2$).2H!2$O
• Chemical name: [Ni(N-acetyl-(+)-ephedrine)~2~].2H~2~O
• Formula: C24 H36 N2 Ni O8
• Calculated formula: C24 H36 N2 Ni O8
• SMILES: [C@@H]1([C@@H](C)[N]2(CC(=O)O[Ni]342([N]([C@@H]([C@H](c2ccccc2)[OH]3)C)(CC(=O)O4)C)[OH]1)C)c1ccccc1.O.O
• Title of publication: Stereochemistry of optically active nickel(ii) and cobalt(ii) coordination compounds derived from N-acetyl aminoalcohols
• Authors of publication: Vargas-Díaz, Gabriela; López-Sandoval, Horacio; Vázquez-Palma, Adriana B.; Flores-Alamo, Marcos; Peña-Hueso, Adrián; Sánchez-Ruíz, Sonia A.; Flores-Parra, Angelina; Contreras, Rosalinda; Barba-Behrens, Norah
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 37
• Pages of publication: 4185
• a: 7.251 ± 0.0002 Å
• b: 8.9808 ± 0.0003 Å
• c: 10.9121 ± 0.0004 Å
• α: 70.355 ± 0.0015°
• β: 81.6001 ± 0.0014°
• γ: 81.6535 ± 0.0014°
• Cell volume: 658.53 ± 0.04 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0838
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No