Information card for entry 4310649

Structure parameters

• Formula: C11 H29 Cl3 Co N5 O2
• Calculated formula: C11 H29 Cl3 Co N5 O2
• SMILES: [Co]1234(Cl)[NH]5CC(O)C[NH]1CC[NH]2CC([NH2]4)(C[NH]3CC5)C.[Cl-].[Cl-].O
• Title of publication: Stereochemistry in Functionalized Macrocycle Complexes: Control of Hydroxyl Substituent Orientation
• Authors of publication: Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1689 - 1696
• a: 8.9797 ± 0.0005 Å
• b: 12.4108 ± 0.0004 Å
• c: 15.5528 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1733.29 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0373
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No