Information card for entry 4311047

Structure parameters

• Formula: C26 H35 Co N3 O6.5
• Calculated formula: C26 H35 Co N3 O6.5
• SMILES: [Co]1234(COc5c(C(C)=[N]4CC[N]3=C(c3c(ccc(C)c3)O2)C)cc(C)cc5)[NH]2[C@H](C(=O)O1)C[C@H](C2)O.O.O
• Title of publication: Synthesis, Characterization, and Solution Behavior of Optically Active cisβ Organocobalt Salen Complexes with l-Amino Acids
• Authors of publication: Renata Dreos; Giorgio Nardin; Lucio Randaccio; Patrizia Siega; Giovanni Tauzher
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3433 - 3440
• a: 10.285 ± 0.002 Å
• b: 18.702 ± 0.007 Å
• c: 14.868 ± 0.005 Å
• α: 90°
• β: 97.39°
• γ: 90°
• Cell volume: 2836.1 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1343
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2253
• Weighted residual factors for all reflections included in the refinement: 0.273
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No