Information card for entry 4079174

Structure parameters

• Formula: C46 H40 Cl4 Cu2 F12 N8 P2
• Calculated formula: C46 H40 Cl4 Cu2 F12 N8 P2
• Title of publication: Dinuclear Coinage-Metal Complexes of Bis(NHC) Ligands: Structural Features and Dynamic Behavior of a Cu‒Cu Complex
• Authors of publication: Gierz, Verena; Seyboldt, Alexander; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Speidel, Michael T.; Speiser, Bernd; Eichele, Klaus; Kunz, Doris
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 22
• Pages of publication: 7893
• a: 21.6031 ± 0.0011 Å
• b: 23.3502 ± 0.0011 Å
• c: 19.875 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10025.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No