Information card for entry 2213590

Structure parameters

• Chemical name: fac-tricarbonylchloridobis[3-(4-pyridyl)pentane-2,4-dione-κ<i>N</i>]rhenium(I) chloroform solvate
• Formula: C24 H23 Cl4 N2 O7 Re
• Calculated formula: C24 H23 Cl4 N2 O7 Re
• SMILES: [Re](Cl)([n]1ccc(cc1)C(=C(/O)C)/C(=O)C)([n]1ccc(cc1)C(=C(/O)C)/C(=O)C)(C#[O])(C#[O])C#[O].ClC(Cl)Cl
• Title of publication: A molecular corner: <i>fac</i>-tricarbonylchloridobis[3-(4-pyridyl)pentane-2,4-dione-κ<i>N</i>]rhenium(I) chloroform solvate
• Authors of publication: Kakoullis Jr, James; Maverick, Andrew W.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1360 - m1361
• a: 10.889 ± 0.004 Å
• b: 11.607 ± 0.004 Å
• c: 24.306 ± 0.01 Å
• α: 90°
• β: 102.477 ± 0.014°
• γ: 90°
• Cell volume: 2999 ± 2 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.373
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes