Information card for entry 7129431

Structure parameters

• Formula: C42 H58 Au2 N6
• Calculated formula: C42 H58 Au2 N6
• SMILES: [Au]([n]1c(cccc1/N=C(NCCNC(=N\c1[n]([Au]c2c(cc(cc2C)C)C)c(ccc1)C)\C(C)(C)C)\C(C)(C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Non-conventional hydrogen bonding and dispersion forces that support embedding mesitylgold into a tailored bis(amidine) framework
• Authors of publication: Arras, Janet; Ugarte Trejo, Omar; Bhuvanesh, Nattamai; Stollenz, Michael
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 11.935 ± 0.0006 Å
• b: 13.4552 ± 0.0006 Å
• c: 13.4592 ± 0.0006 Å
• α: 73.74 ± 0.002°
• β: 85.81 ± 0.002°
• γ: 76.741 ± 0.002°
• Cell volume: 2019.53 ± 0.16 ų
• Cell temperature: 110.15 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No