Information card for entry 4321712

Structure parameters

• Common name: 98277
• Formula: C28 H24 I P
• Calculated formula: C28 H24 I P
• SMILES: [I-].[P+](C)(C1c2ccccc2c2ccccc12)(C1c2ccccc2c2ccccc12)C
• Title of publication: The First Noncoordinated Phosphonium Diylide, [Me2P(C13H8)2]-, and Its Ylidic and Cationic Counterparts: Synthesis, Structural Characterization, and Interaction with the Heavy Group 2 Metals
• Authors of publication: Erik D. Brady; Timothy P. Hanusa; Maren Pink; Victor G. Young
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 6028 - 6037
• a: 7.3318 ± 0.0001 Å
• b: 10.158 ± 0.0001 Å
• c: 14.8414 ± 0.0003 Å
• α: 90°
• β: 94.972 ± 0.001°
• γ: 90°
• Cell volume: 1101.18 ± 0.03 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No