Information card for entry 7005764

Structure parameters

• Chemical name: [Ni(N-(-)-acetyl-phenylephrine)~2~].2H~2~O
• Formula: C22 H32 N2 Ni O10
• Calculated formula: C22 H32 N2 Ni O10
• SMILES: [C@H]1(C[N]2(CC(=O)O[Ni]342(OC(=O)C[N]4(C[C@@H](c2cc(ccc2)O)[OH]3)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: 7.369 ± 0.002 Å
• b: 7.37 ± 0.0019 Å
• c: 11.279 ± 0.003 Å
• α: 76.023 ± 0.014°
• β: 85.64 ± 0.02°
• γ: 84.945 ± 0.018°
• Cell volume: 591.2 ± 0.3 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: 0.0312
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for all reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections included in the refinement: 0.0413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0076
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No