Information card for entry 7055136

Structure parameters

• Formula: C23 H21 P
• Calculated formula: C23 H21 P
• SMILES: P(C1=CCc2c(ccc(c12)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: 8.3278 ± 0.0004 Å
• b: 17.6372 ± 0.0008 Å
• c: 12.0862 ± 0.0005 Å
• α: 90°
• β: 93.553 ± 0.003°
• γ: 90°
• Cell volume: 1771.8 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• 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: 0.0614
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No