Information card for entry 4343355

Structure parameters

• Formula: C24 H36 Au2 F12 N8 P2
• Calculated formula: C24 H36 Au2 F12 N8 P2
• SMILES: C12=[Au]=C3N(C=CN3CC)CCN3C(=[Au]=C4N(C=CN4CC)CCN1C=CN2CC)N(C=C3)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: 16.1337 ± 0.0007 Å
• b: 16.6581 ± 0.0008 Å
• c: 14.4451 ± 0.0007 Å
• α: 90°
• β: 116.201 ± 0.002°
• γ: 90°
• Cell volume: 3483.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No