Information card for entry 7216535

Structure parameters

• Formula: C32 H26 I3 N7 O14
• Calculated formula: C32 H26 I3 N7 O14
• Title of publication: Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes
• Authors of publication: Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 5849
• a: 9.0879 ± 0.0011 Å
• b: 9.9637 ± 0.0012 Å
• c: 10.5749 ± 0.0012 Å
• α: 94.099 ± 0.004°
• β: 103.81 ± 0.004°
• γ: 92.568 ± 0.004°
• Cell volume: 925.6 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0657
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No