Information card for entry 7104780

Structure parameters

• Common name: sym-syn-perchlorato
• Chemical name: sym-syn-perchlorato
• Formula: C14 H29 Cl2 Co N4 O8
• Calculated formula: C14 H29 Cl2 Co N4 O8
• SMILES: [Co]1234(OCl(=O)(=O)=O)[N]56CC[NH]1CCC[NH]2CC[N]3(CCC4CC5)CC6.Cl(=O)(=O)(=O)[O-]
• Title of publication: The first structurally characterised perchlorato-cobalt(III) complexes, involving the C-bonded macrobicyclic ligand 1,4,8,11-tetraazabicyclo[9.5.2]octadecane
• Authors of publication: Zhou, Xiangting; Day, Anthony I.; Willis, Anthony C.; Jackson, W. Gregory
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 18
• Pages of publication: 2386 - 2387
• a: 8.4196 ± 0.0001 Å
• b: 16.6021 ± 0.0002 Å
• c: 14.4434 ± 0.0002 Å
• α: 90°
• β: 92.6915 ± 0.0007°
• γ: 90°
• Cell volume: 2016.72 ± 0.04 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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 significantly intense reflections: 0.0314
• Weighted residual factors for all reflections included in the refinement: 0.0371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0616
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No