Information card for entry 1564318

Structure parameters

• Chemical name: 1,1'-Methylenebis(4-<i>tert</i>-butylpyridinium) dichloride hemihydrate
• Formula: C19 H29 Cl2 N2 O0.5
• Calculated formula: C19 H29 Cl2 N2 O0.5
• Title of publication: 1,1′-Methylenebis(4-tert-butylpyridinium) dichloride hemihydrate
• Authors of publication: Bruekers, J.P.J.; Elemans, J.A.A.W.; Nolte, R.J.M.; Tinnemans, P.
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 8
• a: 27.7659 ± 0.0008 Å
• b: 5.9001 ± 0.0002 Å
• c: 23.9758 ± 0.0007 Å
• α: 90°
• β: 97.4152 ± 0.0014°
• γ: 90°
• Cell volume: 3894.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0657
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes