Information card for entry 7224047

Structure parameters

• Formula: C17 H12 Cl4 O2 P3 Re
• Calculated formula: C17 H12 Cl4 O2 P3 Re
• SMILES: [Re](Cl)([p]1c(Cl)cccc1)([p]1ccccc1Cl)([p]1ccccc1Cl)(C#[O])C#[O]
• Title of publication: [Re(CO)3Cl(C5H4ClP)2] and [Re(CO)2Cl(C5H4ClP)3]: Synthesis and Characterization of Two Novel Rhenium(I) Phosphinine Complexes
• Authors of publication: Hollering, Manuela; Reithmeier, Richard; Meister, Simon; Herdtweck, Eberhardt; Kühn, Fritz Elmar; Rieger, Bernhard
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 16.1981 ± 0.0006 Å
• b: 13.2331 ± 0.0005 Å
• c: 9.8739 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2116.48 ± 0.14 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0199
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.0471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No