Information card for entry 4343354

Structure parameters

• Formula: C22 H32 Au2 F12 N8 P2
• Calculated formula: C22 H32 Au2 F12 N8 P2
• SMILES: C12N(C=CN1CC)CN1C(=[Au]=C3N(CN4C(=[Au]=2)N(C=C4)CC)C=CN3CC)N(C=C1)CC.[P](F)(F)(F)(F)(F)[F-].[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: 18.36 ± 0.003 Å
• b: 13.0075 ± 0.0019 Å
• c: 14.499 ± 0.002 Å
• α: 90°
• β: 105.846 ± 0.005°
• γ: 90°
• Cell volume: 3331 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0797
• 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