Information card for entry 7710215

Structure parameters

• Common name: 4b
• 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: 16.2413 ± 0.0003 Å
• b: 10.28157 ± 0.00016 Å
• c: 26.8395 ± 0.0006 Å
• α: 90°
• β: 96.2607 ± 0.0017°
• γ: 90°
• Cell volume: 4455.09 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No