Information card for entry 2207492

Structure parameters

• Chemical name: 3,3'-(1,4-Naphthalenedimethylene)bis(1-methylimidazolium) diiodide monohydrate
• Formula: C20 H24 I2 N4 O
• Calculated formula: C20 H24 I2 N4 O
• SMILES: n1(Cc2ccc(c3ccccc23)Cn2c[n+](cc2)C)c[n+](cc1)C.O.[I-].[I-]
• Title of publication: 3,3'-(1,4-Naphthalenedimethylene)bis(1-methylimidazolium) diiodide monohydrate
• Authors of publication: Lin-Hai Jing; Da-Bin Qin; Huan-Xia Zhang; Shao-Jin Gu; Zhi-Hua Mao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o3992 - o3993
• a: 8.563 ± 0.003 Å
• b: 9.572 ± 0.003 Å
• c: 14.684 ± 0.006 Å
• α: 102.97 ± 0.03°
• β: 103.66 ± 0.03°
• γ: 98.24 ± 0.03°
• Cell volume: 1114.9 ± 0.7 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0553
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No