Information card for entry 7201437

Structure parameters

• Formula: C39 H28 N4 O8
• Calculated formula: C39 H28 N4 O8
• SMILES: C(c1ccc(cc1)C(=O)O)(c1ccc(cc1)C(=O)O)(c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O.n1ccc(/N=N/c2ccncc2)cc1
• Title of publication: Construction of 3-fold interpenetrated pcu organic frameworks from methanetetrabenzoic acid with zigzag bipyridines
• Authors of publication: Men, Yong-Biao; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2277
• a: 17.02 ± 0.003 Å
• b: 7.9746 ± 0.0016 Å
• c: 24.621 ± 0.005 Å
• α: 90°
• β: 104.15 ± 0.03°
• γ: 90°
• Cell volume: 3240.4 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No