Information card for entry 7002033

Structure parameters

• Common name: 5 in manuscript
• Formula: C18 H20 I2 N6 O
• Calculated formula: C18 H20 I2 N6 O
• SMILES: c1ccc(nc1c1cccc(n1)n1c[n+](cc1)C)n1c[n+](cc1)C.[I-].O.[I-]
• 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: 17.6632 ± 0.0003 Å
• b: 9.5519 ± 0.0001 Å
• c: 12.7633 ± 0.0002 Å
• α: 90°
• β: 99.129 ± 0.001°
• γ: 90°
• Cell volume: 2126.11 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No