Information card for entry 7002034

Structure parameters

• Common name: 6 in manuscript
• Formula: C34 H38 Cl2 N6 O2
• Calculated formula: C34 H38 Cl2 N6 O2
• 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: 10.4027 ± 0.0001 Å
• b: 11.8996 ± 0.0002 Å
• c: 13.3902 ± 0.0001 Å
• α: 90°
• β: 96.115 ± 0.001°
• γ: 90°
• Cell volume: 1648.11 ± 0.03 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No