Information card for entry 7002041

Structure parameters

• Common name: 18 in manuscript
• Formula: C44 H46 B2 Cu2 F8 N14
• Calculated formula: C44 H46 B2 Cu2 F8 N14
• Title of publication: Controlling the coordination modes of a new and highly flexible ligand bearing two N-heterocyclic carbene moieties at a bipyridine backbone
• Authors of publication: Deißler, Christine; Rominger, Frank; Kunz, Doris
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7152
• a: 23.2 ± 0.002 Å
• b: 8.9069 ± 0.0008 Å
• c: 24.425 ± 0.002 Å
• α: 90°
• β: 107.756 ± 0.002°
• γ: 90°
• Cell volume: 4806.8 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.1777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No