Information card for entry 4311046

Structure parameters

• Formula: C31 H40 Co N3 O7
• Calculated formula: C31 H40 Co N3 O7
• SMILES: [Co]1234(OC(=O)[C@@H]([NH2]1)Cc1ccc(cc1)O)Oc1ccc(C)cc1C(=[N]2CC[N]4=C(c1c(OC3)ccc(c1)C)C)C.OC.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: 8.17 ± 0.03 Å
• b: 19 ± 0.04 Å
• c: 19.86 ± 0.04 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3083 ± 14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.3267
• Residual factor for significantly intense reflections: 0.1235
• Weighted residual factors for significantly intense reflections: 0.2842
• Weighted residual factors for all reflections included in the refinement: 0.4134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No