Information card for entry 2012250

Structure parameters

• Common name: fac-Re(CO)3~dpk.oxime)Cl.dmso
• Chemical name: fac-tricarbonylchloro(di-2-pyridyl ketone oxime)rhenium(I) dimethyl sulfoxide solvate
• Formula: C16 H15 Cl N3 O5 Re S
• Calculated formula: C16 H15 Cl N3 O5 Re S
• SMILES: [Re]1(Cl)(C#[O])(C#[O])(C#[O])[n]2ccccc2C(=NO)c2[n]1cccc2.O=S(C)C
• Title of publication: The first pyridyl <i>N</i>,<i>N</i>'-coordinated di-2-pyridyl ketone oxime, <i>fac</i>-tricarbonylchloro(di-2-pyridyl ketone oxime)rhenium(I) dimethyl sulfoxide solvate
• Authors of publication: Bakir, Mohammed
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: 1154 - 1156
• a: 9.257 ± 0.006 Å
• b: 10.483 ± 0.002 Å
• c: 10.6838 ± 0.0017 Å
• α: 103.807 ± 0.012°
• β: 92.84 ± 0.03°
• γ: 103.09 ± 0.05°
• Cell volume: 974.7 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes