Information card for entry 7015254

Structure parameters

• Formula: C28 H34 Cl4 Mn2 N10 O2
• Calculated formula: C27 H30 Cl4 Mn2 N10 O
• Title of publication: Transition metal complexes of the novel hexadentate ligand 1,4-bis(di(N-methylimidazol-2-yl)methyl)phthalazine.
• Authors of publication: Roggan, Stefan; Limberg, Christian; Knispel, Christina; Tilley, T. Don
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 16
• Pages of publication: 4315 - 4323
• a: 13.1972 ± 0.0006 Å
• b: 16.7605 ± 0.0007 Å
• c: 15.8055 ± 0.0008 Å
• α: 90°
• β: 104 ± 0.004°
• γ: 90°
• Cell volume: 3392.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1409
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No