Information card for entry 7005326

Structure parameters

• Formula: C15 H24 B9 P
• Calculated formula: C15 H24 B9 P
• SMILES: [CH]123[C]45([BH]67[BH]89%10[BH]%111([H]8)[BH]182[BH]29%11[BH]96%10[BH]647[BH]351[BH]8296)=P(C)(c1ccccc1)c1ccccc1
• Title of publication: Dicarba-closo-dodecaborane(12) derivatives of phosphonium salts: easy formation of nido-carborane phosphonium zwitterions.
• Authors of publication: Ioppolo, Joseph A.; Clegg, Jack K.; Rendina, Louis M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 20
• Pages of publication: 1982 - 1985
• a: 11.4316 ± 0.0014 Å
• b: 9.4232 ± 0.001 Å
• c: 17.547 ± 0.002 Å
• α: 90°
• β: 102.805 ± 0.006°
• γ: 90°
• Cell volume: 1843.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.059
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No