Information card for entry 7244450

Structure parameters

• Formula: C24 H18 Au2 Cu N8 O
• Calculated formula: C24 H18 Au2 Cu N8 O
• SMILES: [Au](C#N)C#N.[Au](C#N)C#[N][Cu]12([n]3c(c4[n]2cccc4)cccc3)([n]2c(c3[n]1cccc3)cccc2)[OH2]
• Title of publication: Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation
• Authors of publication: Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano
• Journal of publication: CrystEngComm
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 12
• Pages of publication: 2336 - 2348
• a: 15.2706 ± 0.001 Å
• b: 14.29 ± 0.0006 Å
• c: 12.7118 ± 0.001 Å
• α: 90°
• β: 114.476 ± 0.009°
• γ: 90°
• Cell volume: 2524.6 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 293 ± 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: 0.0673
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No