Information card for entry 4311045

Structure parameters

• Formula: C31 H40 Co N3 O7
• Calculated formula: C31 H40 Co N3 O7
• SMILES: c12ccc(cc1C(C)=[N]1CC[N]3=C(c4cc(ccc4OC[Co]413([NH2][C@@H](Cc1ccc(cc1)O)C(=O)O4)O2)C)C)C.O.OC
• 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: 8.177 ± 0.004 Å
• b: 18.907 ± 0.007 Å
• c: 19.642 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3037 ± 2 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: 0.0796
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No