Information card for entry 7010677

Structure parameters

• Formula: C28 H26 Cl2 Mn N3 O3
• Calculated formula: C28 H26 Cl2 Mn N3 O3
• Title of publication: Tuning the metal-based redox potentials of manganese cis,cis-1,3,5-triaminocyclohexane complexes
• Authors of publication: Lewis, Elizabeth A.; Lindsay Smith, John R.; Walton, Paul H.; Archibald, Stephen J.; Foxon, Simon P.; Giblin, Gerard M. P.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 8
• Pages of publication: 1159
• a: 10.192 ± 0.002 Å
• b: 15.336 ± 0.003 Å
• c: 16.322 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2551.2 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0934
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No