Information card for entry 4343349

Structure parameters

• Formula: C23 H36 Au2 Br2 N8 O
• Calculated formula: C23 H36 Au2 Br2 N8 O
• SMILES: C12=[Au]=C3N(CN4C(=[Au]=C5N(CN1C=CN2CC)C=CN5CC)N(C=C4)CC)C=CN3CC.CO.[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: 13.3644 ± 0.0006 Å
• b: 12.1912 ± 0.0005 Å
• c: 18.6685 ± 0.0008 Å
• α: 90°
• β: 107.723 ± 0.003°
• γ: 90°
• Cell volume: 2897.3 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1976
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No