Information card for entry 8105343

Structure parameters

• Common name: Nicotin-1,1'-diium tetraiodidozincate(II) monohydrate
• Chemical name: 3-((1<i>R</i>,2<i>S</i>)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetraiodidozincate(II)
• Formula: C10 H16 I4 N2 Zn
• Calculated formula: C10 H16 I4 N2 Zn
• SMILES: [Zn](I)(I)([I-])[I-].[nH+]1cc(ccc1)[C@H]1[NH+](CCC1)C
• Title of publication: Hydrogen bonding versus packing effects in the crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetraiodidozincate(II), C10H16I4ZnN2
• Authors of publication: Reiss, Guido J.; Sergeeva, Alena
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 959 - 962
• a: 7.334 ± 0.0001 Å
• b: 14.4781 ± 0.0003 Å
• c: 8.6768 ± 0.0002 Å
• α: 90°
• β: 94.919 ± 0.002°
• γ: 90°
• Cell volume: 917.93 ± 0.03 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0172
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.0397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No