Information card for entry 4343616

Structure parameters

• Common name: 2
• Formula: C38 H32 Au F6 N8 P
• Calculated formula: C38 H32 Au F6 N8 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Au](=C1N(c2ccccc2N1Cc1ncccc1)Cc1ncccc1)=C1N(c2ccccc2N1Cc1ncccc1)Cc1ncccc1
• Title of publication: Luminescent Mechanochromism in a Gold(I)-Copper(I) N-Heterocyclic Carbene Complex.
• Authors of publication: Chen, Kelly; Nenzel, Michelle M.; Brown, Thomas M.; Catalano, Vincent J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 6900 - 6909
• a: 8.1963 ± 0.0003 Å
• b: 10.3998 ± 0.0004 Å
• c: 11.8265 ± 0.0005 Å
• α: 68.432 ± 0.001°
• β: 88.348 ± 0.001°
• γ: 70.525 ± 0.001°
• Cell volume: 878.8 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.026
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No