Information card for entry 4343353

Structure parameters

• Formula: C32 H52 Au2 Br2 N8
• Calculated formula: C32 H52 Au2 Br2 N8
• SMILES: [Br-].C12N(C=CN2CC)CCCCCCN2C(=[Au]=C3N(C=CN3CC)CCCCCCN3C(=[Au]=1)N(C=C3)CC)N(C=C2)CC.[Br-]
• 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: 9.4795 ± 0.0008 Å
• b: 10.1252 ± 0.0009 Å
• c: 11.5109 ± 0.0009 Å
• α: 64.343 ± 0.003°
• β: 75.524 ± 0.003°
• γ: 71.486 ± 0.003°
• Cell volume: 936.15 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No