Information card for entry 4321456

Structure parameters

• Formula: C11 H30 Br3 Co N6
• Calculated formula: C11 H30 Br3 Co N6
• SMILES: [Br-].[Br-].[Br-].[Co]1234([NH]5CC[NH]1CC[NH]2CC[NH]3CC5)[NH2]CCC[NH2]4
• Title of publication: Kinetic Origin of the Chelate Effect. Base Hydrolysis, H-Exchange Reactivity, and Structures of syn,anti-[Co(cyclen)(NH3)2]3+ and syn,anti-[Co(cyclen)(diamine)]3+ Ions (diamine = H2N(CH2)2NH2, H2N(CH2)3NH2)
• Authors of publication: Andrea J. Clarkson; David A. Buckingham; Andrew J. Rogers; Allan G. Blackman; Charles R. Clark
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4769 - 4775
• a: 14.17 ± 0.004 Å
• b: 10.623 ± 0.003 Å
• c: 12.362 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1860.8 ± 1 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No