Information card for entry 7030414

Structure parameters

• Formula: C25 H54 Co N5 O13 P2
• Calculated formula: C25 H40 Co N5 O13 P2
• SMILES: [Co]1234(Oc5cccc6c5[n]4ccc6)[N]4(CC[NH]3CC[N]1(CC[NH]2CC4)CCCCP(=O)(O)[O-])CCCCP(=O)(O)[O-].O.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: 12.9933 ± 0.0004 Å
• b: 13.0099 ± 0.0004 Å
• c: 19.4916 ± 0.0002 Å
• α: 90°
• β: 96.783 ± 0.002°
• γ: 90°
• Cell volume: 3271.83 ± 0.15 ų
• Cell temperature: 83 ± 2 K
• Ambient diffraction temperature: 83 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2342
• Residual factor for significantly intense reflections: 0.1436
• Weighted residual factors for significantly intense reflections: 0.2458
• Weighted residual factors for all reflections included in the refinement: 0.2861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No