Information card for entry 7701999

Structure parameters

• Formula: C2.419 H1.86 Br0.186 N0.186 O0.186
• Calculated formula: C2.4186 H1.86047 Br0.186047 N0.186047 O0.186047
• Title of publication: An unsymmetrical covalent organic polymer for catalytic amide synthesis.
• Authors of publication: Yadav, Deepika; Awasthi, Satish Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 1
• Pages of publication: 179 - 186
• a: 8.1837 ± 0.0008 Å
• b: 9.2427 ± 0.001 Å
• c: 30.229 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2286.5 ± 0.4 ų
• Cell temperature: 237 ± 80 K
• Ambient diffraction temperature: 237 ± 80 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8854
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No