Information card for entry 7012492

Structure parameters

• Formula: C28 H54 Cl3 Co N6 O4
• Calculated formula: C28 H54 Cl3 Co N6 O4
• Title of publication: New synthetic routes to hexa-aza cages using cobalt(iii) tris(1,2-diamine) templates
• Authors of publication: Walker, Glen W.; Geue, Rodney J.; Haller, Kenneth J.; David Rae, A.; Sargeson, Alan M.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 279
• a: 15.315 ± 0.002 Å
• b: 15.315 ± 0.002 Å
• c: 13.764 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3228.3 ± 0.9 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for all reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections: 1.3
• Goodness-of-fit parameter for all reflections included in the refinement: 1.376
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No