Information card for entry 4073257

Structure parameters

• Formula: C41 H33 Cl P2
• Calculated formula: C41 H33 Cl P2
• SMILES: [P+](c1ccccc1)(c1ccccc1)(C1=CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1)c1ccccc1.[Cl-]
• Title of publication: Synthesis and Characterization of Stable Ruthenabenzenes Starting from HC⋮CCH(OH)C⋮CH
• Authors of publication: Zhang, Hong; Feng, Li; Gong, Lei; Wu, Liqiong; He, Guomei; Wen, Tingbin; Yang, Fangzu; Xia, Haiping
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 2705
• a: 9.4106 ± 0.0017 Å
• b: 10.611 ± 0.002 Å
• c: 16.299 ± 0.003 Å
• α: 102.528 ± 0.003°
• β: 101.903 ± 0.003°
• γ: 95.411 ± 0.003°
• Cell volume: 1538.1 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No