Information card for entry 4512879

Structure parameters

• Formula: C24 H16 N8 O12
• Calculated formula: C24 H16 N8 O12
• SMILES: C(=O)(c1cc(cc(c1)N(=O)=O)N(=O)=O)O.c1cc(/N=N/c2ccncc2)ccn1.C(=O)(c1cc(cc(c1)N(=O)=O)N(=O)=O)O
• Title of publication: Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions
• Authors of publication: Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 2389
• a: 4.6421 ± 0.0012 Å
• b: 9.923 ± 0.003 Å
• c: 14.773 ± 0.004 Å
• α: 106.135 ± 0.004°
• β: 93.894 ± 0.004°
• γ: 91.467 ± 0.004°
• Cell volume: 651.5 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0764
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No