Information card for entry 7710228

Structure parameters

• Common name: 10a
• Formula: C60 H42 Au2 Cl10 N2 P2 Si2 Zn
• Calculated formula: C58 H40 Au2 Cl4 N2 P2 Si2 Zn
• SMILES: [Au](Cl)[P]12c3ccccc3[Si](c3c1cccc3)(c1c2cccc1)c1ccc(cc1)c1cc[n]([Zn](Cl)(Cl)[n]2ccc(c3ccc([Si]45c6c([P]([Au]Cl)(c7ccccc47)c4ccccc54)cccc6)cc3)cc2)cc1
• Title of publication: Phosphorus or nitrogen – the first phosphatriptycene in coordination polymer chemistry
• Authors of publication: Gildenast, Hans; Gruszien, Lukas; Friedt, Felix; Englert, Ulli
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 22.338 ± 0.005 Å
• b: 11.733 ± 0.003 Å
• c: 24.598 ± 0.006 Å
• α: 90°
• β: 105.717 ± 0.004°
• γ: 90°
• Cell volume: 6206 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No