Information card for entry 7053245

Structure parameters

• Formula: C50 H50 Au2 F12 N14 P2
• Calculated formula: C50 H50 Au2 F12 N14 P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].C12N3C=CN1Cc1cccc(n1)CN1C=CN(C1=[Au]=C1N4C=CN1Cc1cccc(n1)CN1C=CN(C1=[Au]=2)Cc1ccccc1C4)Cc1ccccc1C3.C(#N)C.C(#N)C.[P](F)(F)(F)(F)(F)[F-].C(#N)C.C(#N)C
• Title of publication: Dinuclear complexes of silver(i) and gold(i) with macrocyclic dicarbene ligands bearing a 2,6-lutidinyl bridge: synthesis, structural analysis and dynamic behaviour in solution
• Authors of publication: Biffis, Andrea; Cipani, Matteo; Tubaro, Cristina; Basato, Marino; Costante, Michele; Bressan, Edoardo; Venzo, Alfonso; Graiff, Claudia
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 12
• Pages of publication: 4176
• a: 10.8843 ± 0.0006 Å
• b: 11.3235 ± 0.0007 Å
• c: 12.6353 ± 0.0007 Å
• α: 72.9578 ± 0.0008°
• β: 79.9609 ± 0.0009°
• γ: 69.2499 ± 0.0008°
• Cell volume: 1387.99 ± 0.14 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0374
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.081
• 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: No
• Has Fobs: No