Information card for entry 7705707

Structure parameters

• Formula: C51 H46 Au Cl4 N O
• Calculated formula: C51 H46 Au Cl4 N O
• SMILES: [Au](C#[N]c1c2c(c(OCCCCCCCC)c3c1C1c4ccccc4C3c3ccccc13)C1c3c(C2c2c1cccc2)cccc3)c1ccccc1.ClCCl.ClCCl
• Title of publication: A polymorphic pentiptycene-containing gold(I) isocyanide complex: solvent- and conformation-dependent supramolecular luminescence.
• Authors of publication: Hsu, Ying-Feng; Chen, Ssu-Ying; Maity, Subhendu; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 44
• Pages of publication: 15602 - 15606
• a: 15.3831 ± 0.0004 Å
• b: 23.2901 ± 0.0004 Å
• c: 24.8211 ± 0.0005 Å
• α: 90°
• β: 100.617 ± 0.002°
• γ: 90°
• Cell volume: 8740.5 ± 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: 0.122
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.2523
• Weighted residual factors for all reflections included in the refinement: 0.2672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.566
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No