Information card for entry 7244448

Structure parameters

• Formula: C28 H30 Au2 Cu N8 O3
• Calculated formula: C28 H30 Au2 Cu N8 O3
• SMILES: [Au](C#N)C#N.[Au](C#N)C#N.[Cu]12([n]3cc(ccc3c3[n]1cc(cc3)C)C)([n]1cc(ccc1c1[n]2cc(cc1)C)C)[OH2].O.O
• 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: 11.1876 ± 0.0007 Å
• b: 11.8612 ± 0.0008 Å
• c: 12.4954 ± 0.0007 Å
• α: 98.846 ± 0.005°
• β: 101.818 ± 0.005°
• γ: 97.377 ± 0.005°
• Cell volume: 1581.6 ± 0.18 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0737
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No