Information card for entry 4318412

Structure parameters

• Formula: C22 H32 Cl3 Co N6 O6
• Calculated formula: C22 H32 Cl3 Co N6 O6
• SMILES: [Co]123(C)([n]4ccccc4C[NH]1C(C)C(C)=[N]2O)N(=C(C(C)=[N]3Cc1ccccn1)C)=O.[O-]Cl(=O)(=O)=O.C(Cl)Cl
• 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: 10.896 ± 0.003 Å
• b: 11.37 ± 0.004 Å
• c: 12.229 ± 0.004 Å
• α: 108.44 ± 0.08°
• β: 97.14 ± 0.07°
• γ: 99.06 ± 0.07°
• Cell volume: 1394.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.1815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No