Information card for entry 4343456

Structure parameters

• Formula: C56 H53 Cu6 Fe3 N12 O0.5
• Calculated formula: C56 H53 Cu6 Fe3 N12 O0.5
• Title of publication: 1,1'-Bis(pyrazol-3-yl)ferrocene: A Clip Ligand That Forms Supramolecular Aggregates and Prismatic Hexanuclear Coinage Metal Complexes.
• Authors of publication: Veronelli, Mattia; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 6917 - 6927
• a: 13.6532 ± 0.0003 Å
• b: 14.9651 ± 0.0004 Å
• c: 25.3487 ± 0.0006 Å
• α: 78.853 ± 0.002°
• β: 85.338 ± 0.002°
• γ: 84.749 ± 0.002°
• Cell volume: 5049.5 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No