Information card for entry 7033230

Structure parameters

• Formula: C33.57 H34.13 B2 Cu F8 N6 O6
• Calculated formula: C33.56 H33.68 B2 Cu F8 N6 O6
• 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: 20.74985 ± 0.00019 Å
• b: 10.42825 ± 0.00008 Å
• c: 17.69608 ± 0.00016 Å
• α: 90°
• β: 102.442 ± 0.0009°
• γ: 90°
• Cell volume: 3739.23 ± 0.06 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2317
• Weighted residual factors for all reflections included in the refinement: 0.2343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No