Information card for entry 7710217

Structure parameters

• Common name: 15
• Formula: C62 H49 Br4 Cd2 N3 O P2 Si2
• Calculated formula: C62 H49 Br4 Cd2 N3 O P2 Si2
• 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: 18.045 ± 0.01 Å
• b: 16.625 ± 0.006 Å
• c: 19.776 ± 0.009 Å
• α: 90°
• β: 107.72 ± 0.03°
• γ: 90°
• Cell volume: 5651 ± 5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.49594 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No