Information card for entry 4301704

Structure parameters

• Formula: C96 H98 Cu2 Fe2 N4 O4 P4
• Calculated formula: C96 H98 Cu2 Fe2 N4 O4 P4
• 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: 11.344 ± 0.004 Å
• b: 23.552 ± 0.011 Å
• c: 15.91 ± 0.007 Å
• α: 90°
• β: 98.34 ± 0.03°
• γ: 90°
• Cell volume: 4206 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1983
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.22
• Goodness-of-fit parameter for all reflections included in the refinement: 0.714
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No