Information card for entry 7010048

Structure parameters

• Formula: C24 H30 Cl2 Fe N6 O8
• Calculated formula: C24 H30 Cl2 Fe N6 O8
• Title of publication: Divalent first-row transition metal complexes of the rigid pendant-arm ligand 1,4,7-tris(2-aminophenyl)-1,4,7-triazacyclononane †
• Authors of publication: Fallis, Ian A.; Farley, Richard D.; Malik, K. M. Abdul; Murphy, Damien M.; Smith, Hayley J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 20
• Pages of publication: 3632
• a: 14.298 ± 0.002 Å
• b: 13.7595 ± 0.0015 Å
• c: 28.23 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5553.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections: 0.1044
• Weighted residual factors for significantly intense reflections: 0.0935
• Goodness-of-fit parameter for all reflections: 0.95
• Goodness-of-fit parameter for significantly intense reflections: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No