Information card for entry 7005759

Structure parameters

• Common name: (Co(N-(-)-acetyl-phenylephrine)!2$).2H!2$O
• Chemical name: [Co(N-(-)-acetyl-phenylephrine)~2~].2H~2~O
• Formula: C22 H32 Co N2 O10
• Calculated formula: C22 H32 Co N2 O10
• SMILES: [C@H]1(C[N]2(CC(=O)O[Co]342([N](C[C@@H](c2cc(ccc2)O)[OH]3)(CC(=O)O4)C)[OH]1)C)c1cc(ccc1)O.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: 7.3617 ± 0.0002 Å
• b: 7.3785 ± 0.0002 Å
• c: 11.3521 ± 0.0003 Å
• α: 84.928 ± 0.0013°
• β: 75.9946 ± 0.0014°
• γ: 84.7652 ± 0.0012°
• Cell volume: 594.4 ± 0.03 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: 0.0539
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections included in the refinement: 0.0402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No