Information card for entry 4318411

Structure parameters

• Formula: C21 H32 Cl Co N6 O6
• Calculated formula: C21 H32 Cl Co N6 O6
• SMILES: C[Co]123([n]4ccccc4C[NH]1[C@@H](C)C(C)=[N]2O)N(=C([C@@H](C)[NH]3Cc1ccccn1)C)=O.[O-]Cl(=O)(=O)=O.C[Co]123([n]4ccccc4C[NH]1[C@H](C)C(C)=[N]2O)N(=C([C@H](C)[NH]3Cc1ccccn1)C)=O.[O-]Cl(=O)(=O)=O
• Title of publication: New Alkyl-Cobalt(III) Complexes Containing Chiral Centers in the Chelating System
• Authors of publication: Renata Dreos; Alessandro Felluga; Giorgio Nardin; Lucio Randaccio; Mauro Sandri; Giovanni Tauzher
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4548 - 4554
• a: 12.131 ± 0.003 Å
• b: 26.305 ± 0.005 Å
• c: 15.79 ± 0.003 Å
• α: 90°
• β: 95.27 ± 0.09°
• γ: 90°
• Cell volume: 5017 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.247
• Weighted residual factors for all reflections included in the refinement: 0.271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No