Information card for entry 4513237

Structure parameters

• Common name: 1 (second modification) in manuscript
• Formula: C52 H32 N4 Si
• Calculated formula: C52 H32 N4 Si
• SMILES: [Si](c1ccc(cc1)C#Cc1ccncc1)(c1ccc(cc1)C#Cc1ccncc1)(c1ccc(cc1)C#Cc1ccncc1)c1ccc(cc1)C#Cc1ccncc1
• Title of publication: Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand
• Authors of publication: Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 3539
• a: 9.0422 ± 0.0006 Å
• b: 29.432 ± 0.002 Å
• c: 15.6532 ± 0.0011 Å
• α: 90°
• β: 104.306 ± 0.0019°
• γ: 90°
• Cell volume: 4036.6 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No