Information card for entry 7030412

Structure parameters

• Formula: C23 H40 Co N5 O9 S2
• Calculated formula: C23 H40 Co N5 O9 S2
• SMILES: [Co]1234(Oc5cccc6ccc[n]4c56)[N]4(CC[NH]1CC[N]2(CC[NH]3CC4)CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-].O.O
• Title of publication: Syntheses of 8-quinolinolatocobalt(III) complexes containing cyclen based auxiliary ligands as models for hypoxia-activated prodrugs.
• Authors of publication: Chang, John Yu-Chih; Stevenson, Ralph J.; Lu, Guo-Liang; Brothers, Penelope J.; Clark, George R.; Denny, William A.; Ware, David C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 48
• Pages of publication: 11535 - 11550
• a: 10.0472 ± 0.0003 Å
• b: 11.1403 ± 0.0003 Å
• c: 24.8215 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2778.24 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0256
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No