Information card for entry 7704836

Structure parameters

• Formula: C31 H29 Cl2 Co N6 O10
• Calculated formula: C31 H29 Cl2 Co N6 O10
• SMILES: [Co]123(OC(=O)[C@@H]([NH2]2)Cc2ccccc2)([n]2ccccc2c2[n]1cccc2)[n]1ccccc1c1[n]3cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC
• 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: 12.5559 ± 0.0006 Å
• b: 9.9926 ± 0.0004 Å
• c: 14.5754 ± 0.0007 Å
• α: 90°
• β: 113.235 ± 0.002°
• γ: 90°
• Cell volume: 1680.4 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 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: 0.0486
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No