Information card for entry 7211674

Structure parameters

• Formula: C9 H10 Cl I N4 O5
• Calculated formula: C9 H10 Cl I N4 O5
• SMILES: Ic1ccc(cc1)N=Nc1[nH]cc[nH+]1.Cl(=O)(=O)(=O)[O-].O
• Title of publication: Aryl azo imidazoles assisted assembly of anion/anion‒water through salt formation
• Authors of publication: Pramanik, Avijit; Majumdar, Subhojit; Das, Gopal
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 250
• a: 5.6044 ± 0.0001 Å
• b: 8.8412 ± 0.0002 Å
• c: 29.3023 ± 0.0006 Å
• α: 90°
• β: 95.347 ± 0.001°
• γ: 90°
• Cell volume: 1445.6 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No