Information card for entry 4082933

Structure parameters

• Formula: C20 H24 Cu N2 O2
• Calculated formula: C20 H24 Cu N2 O2
• SMILES: [Cu]12([N](=C3C=CC=CC=C3O1)C(C)C)[N](=C1C=CC=CC=C1O2)C(C)C
• Title of publication: π-Complexes of Tropolone and Its N-Derivatives: Ambidentate [O,O]/[N,O]/[N,N]-Cycloheptatrienyl Pentamethylcyclopentadienyl Ruthenium Sandwich Complexes
• Authors of publication: Pittracher, Michael; Frisch, Ulla; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Oehninger, Luciano; Ott, Ingo; Wuttke, Evelyn; Scheerer, Stefan; Winter, Rainer F.; Bildstein, Benno
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1630
• a: 11.9233 ± 0.0002 Å
• b: 11.9233 ± 0.0002 Å
• c: 13.3966 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1904.53 ± 0.05 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0193
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No