Information card for entry 4079172

Structure parameters

• Formula: C44 H36 Ag2 F12 N8 P2
• Calculated formula: C44 H36 Ag2 F12 N8 P2
• SMILES: C1N(C2N3N4C(N(C=C4C=CC=13)Cc1ccccc1)=[Ag]1=C3N(C=C4C=CC5N(C(=[Ag]=21)N(C=5)Cc1ccccc1)N34)Cc1ccccc1)Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 9.0654 ± 0.0005 Å
• b: 9.1113 ± 0.0005 Å
• c: 13.9447 ± 0.0008 Å
• α: 78.571 ± 0.001°
• β: 75.508 ± 0.001°
• γ: 74.201 ± 0.001°
• Cell volume: 1062.52 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0183
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No