Information card for entry 7704835

Structure parameters

• Formula: C27 H28 Cl2 Co N5 O10
• Calculated formula: C27 H28 Cl2 Co N5 O10
• SMILES: [Co]1234(OC(=O)[C@@H]([NH2]3)Cc3ccccc3)[n]3ccccc3C[N]4(Cc3[n]2cccc3)Cc2[n]1cccc2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Investigation of cobalt(III)-phenylalanine complexes for hypoxia-activated drug delivery.
• Authors of publication: de Souza, Isabela Cristina Aguiar; Santana, Savyo de Souza; Gómez, Javier G; Guedes, Guilherme P.; Madureira, João; Quintal, Susana Maria de Ornelas; Lanznaster, Mauricio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 45
• Pages of publication: 16425 - 16439
• a: 12.5779 ± 0.0003 Å
• b: 15.3268 ± 0.0004 Å
• c: 16.0033 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3085.1 ± 0.15 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 289.68 K
• Number of distinct elements: 6
• 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: 0.0719
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No