Information card for entry 4343351

Structure parameters

• Formula: C26 H40 Au2 Br2 N8
• Calculated formula: C26 H40 Au2 Br2 N8
• SMILES: [Au]1=C2N(CCCN3C(=[Au]=C4N(C=CN4CC)CCCN4C=1N(C=C4)CC)N(C=C3)CC)C=CN2CC.[Br-].[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: 14.8235 ± 0.0006 Å
• b: 12.0677 ± 0.0008 Å
• c: 9.3272 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1668.5 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n :2
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No