Information card for entry 7704838

Structure parameters

• Formula: C25 H32 Cl2 Co N5 O10
• Calculated formula: C25 H32 Cl2 Co N5 O10
• SMILES: [Co]1234(OC(=O)[C@@H]([NH2]1)Cc1ccccc1)[N](Cc1[n]4cccc1)(C)CC[N]3(Cc1[n]2cccc1)C.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: 10.4694 ± 0.0003 Å
• b: 12.8698 ± 0.0005 Å
• c: 22.5611 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3039.86 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 297.92 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: 0.0685
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No