Information card for entry 4301706

Structure parameters

• Formula: C36 H57 Cu Fe N2 O2 P2
• Calculated formula: C36 H56.25 Cu Fe N2 O2 P2
• 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: 11.5638 ± 0.0004 Å
• b: 16.3723 ± 0.0007 Å
• c: 20.7837 ± 0.0005 Å
• α: 92.505 ± 0.002°
• β: 105.466 ± 0.002°
• γ: 97.362 ± 0.002°
• Cell volume: 3748.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1404
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No