Information card for entry 2012492

Structure parameters

• Common name: fac-Re(CO)~3~(dpkO,OH)
• Chemical name: fac-Tricarbonyl[hydroxybis(2-pyridyl)methanolato-κ^3^N,O,N')rhenium(I)
• Formula: C14 H9 N2 O5 Re
• Calculated formula: C14 H9 N2 O5 Re
• SMILES: [Re]12(C#[O])(C#[O])(C#[O])[n]3ccccc3C(c3[n]1cccc3)(O2)O
• Title of publication: <i>fac</i>-Tricarbonyl[hydroxybis(2-pyridyl)methanolato-κ^3^<i>N</i>,<i>O</i>,<i>N</i>']rhenium(I)
• Authors of publication: Bakir, Mohammed
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: m74 - m76
• a: 27.742 ± 0.002 Å
• b: 7.8344 ± 0.0016 Å
• c: 16.2658 ± 0.0018 Å
• α: 90°
• β: 125.679 ± 0.005°
• γ: 90°
• Cell volume: 2871.7 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.032
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes