Information card for entry 7027990

Structure parameters

• Formula: C14 H38 Cl3 Co N6 O14
• Calculated formula: C14 H36 Cl3 Co N6 O14
• Title of publication: N-Methylation of macrocyclic hexaaminecobalt(III) complexes
• Authors of publication: Bernhardt, Paul V.; Jones, Lathe A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 11
• Pages of publication: 1757
• a: 12.938 ± 0.004 Å
• b: 13.21 ± 0.002 Å
• c: 15.714 ± 0.005 Å
• α: 90°
• β: 90.94 ± 0.02°
• γ: 90°
• Cell volume: 2685.3 ± 1.3 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: 0.2002
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections: 0.3113
• Weighted residual factors for significantly intense reflections: 0.224
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No