Information card for entry 4343357

Structure parameters

• Formula: C28 H44 Au2 F12 N8 P2
• Calculated formula: C28 H44 Au2 F12 N8 P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].C12N(C=CN1CC)CCCCN1C(=[Au]=C3N(C=CN3CC)CCCCN3C(=[Au]=2)N(C=C3)CC)N(C=C1)CC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Stretch Out or Fold Back? Conformations of Dinuclear Gold(I) N-Heterocyclic Carbene Macrocycles.
• Authors of publication: Kobialka, Stefanie; Müller-Tautges, Christina; Schmidt, Melanie T. S.; Schnakenburg, Gregor; Hollóczki, Oldamur; Kirchner, Barbara; Engeser, Marianne
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6100 - 6111
• a: 9.946 ± 0.005 Å
• b: 10.113 ± 0.008 Å
• c: 11.269 ± 0.009 Å
• α: 65.56 ± 0.05°
• β: 85.99 ± 0.05°
• γ: 68.14 ± 0.05°
• Cell volume: 953 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0536
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No