Information card for entry 7212214

Structure parameters

• Formula: C20 H24 N2 O10
• Calculated formula: C20 H24 N2 O10
• SMILES: c1c(ccc(c1C(=O)O)C(=O)[O-])c1cc(c(cc1)C(=O)[O-])C(=O)O.C1[NH2+]CC[NH2+]C1.O.O
• Title of publication: Supramolecular assembly of [H(4−n)BPTC]n− with pipzH22+: 1D negatively charged rectangular tubes and a 2D neutral fes 4·82 network
• Authors of publication: Xiao, Weiming; Chen, Chao; Deng, Shengjun; Mao, Xuejin; Sun, Bin; Zhang, Ning
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 2011
• a: 6.2017 ± 0.0009 Å
• b: 8.3441 ± 0.0013 Å
• c: 9.6508 ± 0.0014 Å
• α: 91.155 ± 0.002°
• β: 93.378 ± 0.002°
• γ: 94.221 ± 0.002°
• Cell volume: 497.04 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1187
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1883
• Weighted residual factors for all reflections included in the refinement: 0.2184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No