Information card for entry 1517710

Structure parameters

• Formula: C19 H12 O7 P Re2
• Calculated formula: C19 H12 O7 P Re2
• SMILES: [Re](C#[O])(C#[O])(C#[O])(C#[O])[P]1(c2ccccc2)[CH]([Re]234(C#[O])(C#[O])C#[O])=[C]3([C]4(=[CH]21)C)C
• Title of publication: High versatility of 3,4-dimethyl-1-phenyl-phosphole and 3-methyl-1-phenyl-phosphole as ligands in the reaction with [Re2(CO)8(CH3CN)2] and [Ru3(CO)12]: X-ray structures of [Re2(CO)7(n1:n2:n2-PhPC4H2Me2)], [Re2(CO)7(n1:n2:n2-PhPC4H3Me)] and [Ru2(CO)4(PhPC4H3Me)2]
• Authors of publication: Yomaira Otero; Alejandro Arce; Ysaura De Sanctis; Ruben Machado; Maria C. Goite; Teresa Gonzalez; Alexander Briceno
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 404
• Pages of publication: 77 - 81
• a: 10.215 ± 0.006 Å
• b: 10.546 ± 0.007 Å
• c: 11.07 ± 0.006 Å
• α: 107.371 ± 0.014°
• β: 94.289 ± 0.012°
• γ: 105.567 ± 0.018°
• Cell volume: 1080.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No