Information card for entry 4116286

Structure parameters

• Common name: guanidinium azobenzene-4,4'-disulfonate . nitrobenzene
• Formula: C14 H20 N8 O6 S2
• Calculated formula: C14 H20 N8 O6 S2
• SMILES: c1(ccc(S(=O)(=O)[O-])cc1)/N=N/c1ccc(cc1)S(=O)(=O)[O-].C(=[NH2+])(N)N.C(=[NH2+])(N)N
• Title of publication: Sterically Controlled Architectural Reversion in Hydrogen-Bonded Crystalline Clathrates
• Authors of publication: Cara C. Evans; Lisa Sukarto; Michael D. Ward
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 320 - 325
• a: 7.1781 ± 0.0003 Å
• b: 7.3188 ± 0.0004 Å
• c: 16.7531 ± 0.0007 Å
• α: 89.185 ± 0.002°
• β: 89.696 ± 0.002°
• γ: 62.094 ± 0.001°
• Cell volume: 777.7 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections: 0.2125
• Weighted residual factors for significantly intense reflections: 0.2
• Goodness-of-fit parameter for all reflections: 1.122
• Goodness-of-fit parameter for significantly intense reflections: 1.259
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No