Information card for entry 7013648

Structure parameters

• Formula: C42 H60 Mn2 N8
• Calculated formula: C42 H60 Mn2 N8
• Title of publication: Double-stranded, [4 + 4] helicates of Fe(II) and Mn(II) supported by an extended dipyrrolide ligand
• Authors of publication: Stuart D. Reid; Alexander J. Blake; Walter Köckenberger; Claire Wilson; Jason B. Love
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 23
• Pages of publication: 4387 - 4388
• a: 11.099 ± 0.002 Å
• b: 13.738 ± 0.002 Å
• c: 14.997 ± 0.002 Å
• α: 74.705 ± 0.002°
• β: 79.934 ± 0.002°
• γ: 71.465 ± 0.002°
• Cell volume: 2080.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No