Information card for entry 2241455

Structure parameters

• Chemical name: <i>fac</i>-Tricarbonyl(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)(triphenylarsane-κ<i>As</i>)rhenium(I)
• Formula: C31 H21 As N O5 Re
• Calculated formula: C31 H21 As N O5 Re
• SMILES: [Re]1([n]2c(C(=O)O1)ccc1ccccc21)([As](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Crystal structure of <i>fac</i>-tricarbonyl(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)(triphenylarsane-κ<i>As</i>)rhenium(I)
• Authors of publication: Triantis, Charalampos; Shegani, Antonio; Kiritsis, Christos; Raptopoulou, Catherine P.; Psycharis, Vassilis; Pelecanou, Maria; Pirmettis, Ioannis; Papadopoulos, Minas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 114 - 116
• a: 18.1637 ± 0.0003 Å
• b: 10.3463 ± 0.0002 Å
• c: 14.5322 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2730.99 ± 0.09 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 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: 0.0332
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes