Information card for entry 7052384

Structure parameters

• Chemical name: tetraethyleneammonium 1-phenyl-1-monocarba-6-iodo-undecaborane
• Formula: C15 H33 B9 I N
• Calculated formula: C15 H33 B9 I N
• SMILES: I[B]1234[BH]567[C]89([BH]%10%115[BH]526[BH]26%11[BH]%111([BH]8%102[BH]379%11)[BH]456)c1ccccc1.[N+](CC)(CC)(CC)CC
• Title of publication: Crystal-packing motifs of [Ag4L4]4+ star-burst tetrahedra
• Authors of publication: Sumby, Christopher J.; Carr, Michael J.; Franken, Andreas; Kennedy, John D.; Kilner, Colin A.; Hardie, Michaele J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 10
• Pages of publication: 1390
• a: 9.151 ± 0.0002 Å
• b: 14.8907 ± 0.0003 Å
• c: 17.1566 ± 0.0004 Å
• α: 90°
• β: 104.576 ± 0.0008°
• γ: 90°
• Cell volume: 2262.6 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0356
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No