Information card for entry 7710221

Structure parameters

• Common name: 4a
• Formula: C29 H20 N P Si
• Calculated formula: C29 H20 N P Si
• 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: 8.381 ± 0.003 Å
• b: 10.216 ± 0.003 Å
• c: 14.463 ± 0.005 Å
• α: 110.247 ± 0.004°
• β: 96.711 ± 0.006°
• γ: 98.434 ± 0.005°
• Cell volume: 1130.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No