Information card for entry 7005760

Structure parameters

• Common name: Compound X
• Chemical name: [Co(N-acetyl-(+)-ephedrine)~2~]
• Formula: C24 H32 Co N2 O6
• Calculated formula: C24 H32 Co N2 O6
• SMILES: [C@@H]1([C@H]([N]2(CC(=O)O[Co]342([OH]1)[N]([C@@H]([C@@H]([OH]3)c1ccccc1)C)(CC(=O)O4)C)C)C)c1ccccc1.[C@H]1([C@@H]([N]2(CC(=O)O[Co]342([OH]1)[N]([C@H]([C@H]([OH]3)c1ccccc1)C)(CC(=O)O4)C)C)C)c1ccccc1
• 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: 8.6971 ± 0.0002 Å
• b: 26.2558 ± 0.0008 Å
• c: 10.6396 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2429.55 ± 0.12 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: C 2 c b
• Hall space group symbol: C -2ac 2
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for all reflections: 0.2346
• Weighted residual factors for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections included in the refinement: 0.0379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0262
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No