Information card for entry 7005763

Structure parameters

• Common name: (Ni(N-acetyl-(+)-pseudoephedrine)!2$).2H!2$O
• Chemical name: [Ni(N-acetyl-(+)-pseudoephedrine)~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(OC(=O)C[N]4([C@H]([C@H](c2ccccc2)[OH]3)C)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: 17.611 ± 0.012 Å
• b: 17.611 ± 0.012 Å
• c: 7.158 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1923 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.0346
• Weighted residual factors for all reflections included in the refinement: 0.0346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0815
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No