Information card for entry 7009223

Structure parameters

• Formula: C13 H26 Cl3 Co N4 O8
• Calculated formula: C13 H26 Cl3 Co N4 O8
• SMILES: [Co]123(OC(=CC(=[O]1)C)C)([NH2]CC[NH]2CC[N]3(CCCl)CCCl)N(=O)=O.Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis, structures and hypoxia-selective cytotoxicity of cobalt(III) complexes containing tridentate amine and nitrogen mustard ligands
• Authors of publication: Ware, David C.; Brothers, Penelope J.; Clark, George R.; Denny, William A.; Palmer, Brian D.; Wilson, William R.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 6
• Pages of publication: 925
• a: 15.7714 ± 0.0003 Å
• b: 11.4969 ± 0.0002 Å
• c: 12.757 ± 0.0001 Å
• α: 90°
• β: 108.67°
• γ: 90°
• Cell volume: 2191.41 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No