Information card for entry 4343352

Structure parameters

• Formula: C30 H52 Au2 Br2 N8 O2
• Calculated formula: C30 H52 Au2 Br2 N8 O2
• SMILES: OC.[Au]1=C2N(C=CN2CC)CCCCN2C(=[Au]=C3N(C=CN3CC)CCCCN3C=1N(C=C3)CC)N(C=C2)CC.[Br-].OC.[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: 9.5196 ± 0.0005 Å
• b: 10.6053 ± 0.0004 Å
• c: 11.2021 ± 0.0006 Å
• α: 95.973 ± 0.003°
• β: 114.1 ± 0.002°
• γ: 111.925 ± 0.003°
• Cell volume: 912.7 ± 0.09 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: 0.0342
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No