Information card for entry 7224046

Structure parameters

• Formula: C13 H8 Cl3 O3 P2 Re
• Calculated formula: C13 H8 Cl3 O3 P2 Re
• SMILES: [Re](Cl)([p]1c(Cl)cccc1)([p]1ccccc1Cl)(C#[O])(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: 24.999 ± 0.003 Å
• b: 9.782 ± 0.001 Å
• c: 16.742 ± 0.002 Å
• α: 90°
• β: 121.979 ± 0.004°
• γ: 90°
• Cell volume: 3472.8 ± 0.7 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 6
• 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: 0.0264
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No