Information card for entry 4301703

Structure parameters

• Formula: C12 H18 N2 O2
• Calculated formula: C12 H18 N2 O2
• SMILES: O=C1C=C([O-])C(NC(C)C)=CC1=[NH+]C(C)C
• Title of publication: Synthesis of Bis(phosphinoferrocenyl) Copper Complexes from Zwitterionic Quinonoid Ligands and Their Structural and Redox Properties
• Authors of publication: Pierre Braunstein; Denis Bubrin; Biprajit Sarkar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2534 - 2540
• a: 5.7087 ± 0.0008 Å
• b: 14.096 ± 0.002 Å
• c: 15.39 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1238.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No