Information card for entry 7030415

Structure parameters

• Formula: C18 H38 Cl3 Co N4 O5
• Calculated formula: C18 H38 Cl3 Co N4 O5
• SMILES: [Co]123(Cl)([NH]4CC[N]1(CC[NH]2CC[N]3(CC4)CCCCC(=O)O)CCCCC(=O)O)Cl.[Cl-].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: 6.6328 ± 0.0001 Å
• b: 11.8056 ± 0.0002 Å
• c: 15.7524 ± 0.0002 Å
• α: 97.266 ± 0.001°
• β: 92.72 ± 0.001°
• γ: 97.839 ± 0.001°
• Cell volume: 1209.51 ± 0.03 ų
• Cell temperature: 84 ± 2 K
• Ambient diffraction temperature: 84 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No