Information card for entry 7006626

Structure parameters

• Formula: C33 H53 Cl Co N7 O13
• Calculated formula: C33 H51 Cl Co N7 O13
• SMILES: O.O.O.O.C1(=NO[Co]234([n]5ccccc5C[N]4(Cc4cccc[n]24)Cc2cccc[n]32)O1)[C@H]([C@@H](CC(C)C)C(=O)N[C@@H](C(C)(C)C)C(=O)NC)O.[O-]Cl(=O)(=O)=O
• Title of publication: Models of hypoxia activated prodrugs: Co(III) complexes of hydroxamic acids.
• Authors of publication: Failes, Timothy W.; Hambley, Trevor W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 15
• Pages of publication: 1895 - 1901
• a: 8.5889 ± 0.0013 Å
• b: 18.95 ± 0.003 Å
• c: 12.6315 ± 0.0019 Å
• α: 90°
• β: 97.277 ± 0.003°
• γ: 90°
• Cell volume: 2039.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No