Information card for entry 4504529

Structure parameters

• Formula: C30.5 H19 N3 O9
• Calculated formula: C30.5 H15 N3 O9
• Title of publication: Lattice Inclusion Complexes Prepared from 1,3,5-Tris(3-nitrobenzoyl)benzene
• Authors of publication: Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 193
• a: 10.1724 ± 0.0002 Å
• b: 10.4722 ± 0.0002 Å
• c: 13.8239 ± 0.0003 Å
• α: 87.577 ± 0.001°
• β: 80.213 ± 0.001°
• γ: 63.244 ± 0.001°
• Cell volume: 1294.83 ± 0.05 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1396
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2343
• Weighted residual factors for all reflections included in the refinement: 0.2816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No