Information card for entry 4310653

Structure parameters

• Formula: C9 H22 Cl3 Co N4 O2
• Calculated formula: C9 H22 Cl3 Co N4 O2
• SMILES: [Co]123(Cl)(Cl)[NH2]CC[NH]1CC(C[NH]2CC[NH2]3)(C(=O)O)C.[Cl-]
• Title of publication: Functionalized Macrocycles from Functionalized Tetra-Amines: Pendent-Arm Macrocycles Derived from Dichloropivalic Acid
• Authors of publication: Paul V. Bernhardt; 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: 1681 - 1688
• a: 12.5225 ± 0.0008 Å
• b: 9.1018 ± 0.0004 Å
• c: 13.6155 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1551.86 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No