Information card for entry 7014179

Structure parameters

• Formula: C9 H28 Cl2 Co N5 O8
• Calculated formula: C9 H24 Cl2 Co N5 O8
• SMILES: C1C[NH2][Co]234([N]1(CC[NH2]2)CC[NH2]3)[NH2]CCC(=O)O4.[O-]Cl(=O)(=O)=O.O.O.[Cl-]
• Title of publication: Cleavage of the peptide bond of beta-alanyl-L-histidine (carnosine) induced by a Co(III)-amine complexes: reaction, structure and mechanism.
• Authors of publication: Saha, Manas K.; Mukhopadhyay, Uday; Bernal, Ivan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 9
• Pages of publication: 1466 - 1473
• a: 9.103 ± 0.005 Å
• b: 13.651 ± 0.002 Å
• c: 15.199 ± 0.004 Å
• α: 90°
• β: 102.5 ± 0.03°
• γ: 90°
• Cell volume: 1843.9 ± 1.2 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: 0.1625
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No