Information card for entry 7033232

Structure parameters

• Formula: C38.68 H48.73 B2 F8 Fe N6 O7.68
• Calculated formula: C38.684 H48.736 B2 F8 Fe N6 O7.684
• Title of publication: Synthesis and transition metal coordination chemistry of a novel hexadentate bispidine ligand.
• Authors of publication: Comba, Peter; Rudolf, Henning; Wadepohl, Hubert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 6
• Pages of publication: 2724 - 2736
• a: 10.538 ± 0.005 Å
• b: 15.04 ± 0.007 Å
• c: 27.068 ± 0.014 Å
• α: 90°
• β: 99.311 ± 0.008°
• γ: 90°
• Cell volume: 4234 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0809
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No