Information card for entry 4073019

Structure parameters

• Formula: C18 H17 P
• Calculated formula: C18 H17 P
• SMILES: P(=C1C=CC=C1)(C)(c1ccccc1)c1ccccc1
• Title of publication: New Complexes of Methyldiphenylphosphonium Cyclopentadienylide, Representative of a Class of Ligands Heretofore Much Neglected
• Authors of publication: Brownie, John H.; Baird, Michael C.; Schmider, Hartmut
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 6
• Pages of publication: 1433
• a: 9.2856 ± 0.0008 Å
• b: 10.8254 ± 0.0009 Å
• c: 15.0721 ± 0.0013 Å
• α: 89.602 ± 0.002°
• β: 83.26 ± 0.002°
• γ: 75.643 ± 0.001°
• Cell volume: 1457.2 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No