Information card for entry 7014034

Structure parameters

• Common name: [Re(CO)3(2,5-dipic)(im)]
• Chemical name: Rhenium(I)-(pyridine-2.5-dicarboxylicacid)(imidazole)(CO)3
• Formula: C13 H8 N3 O7 Re
• Calculated formula: C13 H8 N3 O7 Re
• SMILES: [Re]1(OC(=O)c2[n]1cc(cc2)C(=O)O)([n]1c[nH]cc1)(C#[O])(C#[O])C#[O]
• Title of publication: A new [2 + 1] mixed ligand concept based on [99(m)Tc(OH2)3(CO)3]+: a basic study.
• Authors of publication: Mundwiler, Stefan; Kündig, Monika; Ortner, Kirstin; Alberto, Roger
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 9
• Pages of publication: 1320 - 1328
• a: 7.5005 ± 0.0008 Å
• b: 8.6008 ± 0.0009 Å
• c: 12.6462 ± 0.0013 Å
• α: 95.12 ± 0.012°
• β: 94.378 ± 0.012°
• γ: 106.362 ± 0.011°
• Cell volume: 775.24 ± 0.15 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 0.821
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No