Information card for entry 7209980

Structure parameters

• Formula: C6 H10 I4 N4
• Calculated formula: C6 H10 I4 N4
• SMILES: c1[nH]cc[nH+]1.c1[nH]cc[nH+]1.[I-].I[I-]I
• Title of publication: Synthesis, crystal structure and phase transitions of a series of imidazolium iodides
• Authors of publication: Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 28
• Pages of publication: 5633
• a: 13.9633 ± 0.0016 Å
• b: 15.6595 ± 0.001 Å
• c: 14.9399 ± 0.0013 Å
• α: 90°
• β: 116.778 ± 0.007°
• γ: 90°
• Cell volume: 2916.4 ± 0.5 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 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: 0.0581
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No