Information card for entry 2005942

Structure parameters

• Chemical name: Triphenylphosphonium tetradecahydro-nido-undecaborate(-1)
• Formula: C18 H30 B11 P
• Calculated formula: C18 H30 B11 P
• SMILES: [PH+](c1ccccc1)(c1ccccc1)c1ccccc1.[BH]1234[BH]567[BH]891[BH]1%102[BH2]29[BH]589[H][BH]579[BH]736[BH]34%10[BH]124[H][BH]4573
• Title of publication: [Ph~3~PH][<i>nido</i>-B~11~H~14~]
• Authors of publication: McGrath, T. D.; McGrathand, A. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 229 - 231
• a: 8.641 ± 0.003 Å
• b: 13.064 ± 0.002 Å
• c: 10.945 ± 0.003 Å
• α: 90°
• β: 106.861 ± 0.002°
• γ: 90°
• Cell volume: 1182.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections: 0.1653
• Weighted residual factors for significantly intense reflections: 0.1497
• Goodness-of-fit parameter for all reflections: 1.028
• Goodness-of-fit parameter for significantly intense reflections: 1.255
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No