Information card for entry 7005757

Structure parameters

• Common name: (Co(N-acetyl-(-)-ephedrine)!2$).2H!2$O
• Chemical name: [Co(N-acetyl-(-)-ephedrine)~2~].2H~2~O
• Formula: C24 H36 Co N2 O8
• Calculated formula: C24 H36 Co N2 O8
• SMILES: [C@H]1([C@H](C)[N]2(CC(=O)O[Co]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: 7.2132 ± 0.0002 Å
• b: 8.9996 ± 0.0003 Å
• c: 10.936 ± 0.0004 Å
• α: 71.2063 ± 0.0016°
• β: 81.2558 ± 0.0017°
• γ: 81.4946 ± 0.0018°
• Cell volume: 660.54 ± 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: 0.0346
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for all reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections included in the refinement: 0.0369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0848
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No