Information card for entry 7055137

Structure parameters

• Formula: C24 H23 P
• Calculated formula: C24 H23 P
• SMILES: P(=C1C=Cc2c(ccc(c12)C)C)(C)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and structure of a new phosphonium-1-indenylide (PHIN) ligand, 4,7-dimethyl-1-C9H4PMePh2, and of new PHIN complexes of rhodium and iridium
• Authors of publication: Purdavaie, Kourosh; Baird, Michael C.; Budzelaar, Peter H. M.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 12
• Pages of publication: 9429
• a: 16.6549 ± 0.0002 Å
• b: 11.2323 ± 0.0001 Å
• c: 20.2304 ± 0.0002 Å
• α: 90°
• β: 96.4639 ± 0.0004°
• γ: 90°
• Cell volume: 3760.5 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No