Information card for entry 2004511

Structure parameters

• Chemical name: N,N'-Methylenedipyridinium 1-Iodo-nonahydro-closo-decaborate
• Formula: C11 H21 B10 I N2
• Calculated formula: C11 H21 B10 I N2
• SMILES: C([n+]1ccccc1)[n+]1ccccc1.I[B]123[BH]456[BH]781[BH]192[BH]234[BH]349[BH]981[BH]157[BH]623[BH]491
• Title of publication: Dipyridiniomethane 1-Iodo-<i>closo</i>-decaborate, [(C~5~H~5~N)~2~CH~2~][1-IB~10~H~9~]
• Authors of publication: Nachtigal, C.; Preetz, W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 453 - 455
• a: 11.314 ± 0.0006 Å
• b: 10.872 ± 0.001 Å
• c: 14.74 ± 0.002 Å
• α: 90 ± 0.009°
• β: 90.369 ± 0.007°
• γ: 90 ± 0.006°
• Cell volume: 1813.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.0736
• Goodness-of-fit parameter for all reflections: 1.189
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No