Information card for entry 7016915

Structure parameters

• Formula: C27 H19 Br N3 O4 Re
• Calculated formula: C27 H19 Br N3 O4 Re
• SMILES: C(#[O])[Re]12(C#[O])(C#[O])N(C(c3cccc[n]23)(c2cccc[n]12)c1ccccc1)C(=O)c1ccccc1.[Br-]
• Title of publication: Studies of the reactions of tripodal pyridine-containing ligands with Re(CO)(5)Br leading to rheniumtricarbonyl complexes with potential biomedical applications.
• Authors of publication: Griffiths, D. Vaughan; Cheong, Yuen-Ki; Duncanson, Philip; Motevalli, Majid
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 39
• Pages of publication: 10215 - 10228
• a: 17.395 ± 0.002 Å
• b: 13.956 ± 0.002 Å
• c: 20.464 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4967.9 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.1182
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.1816
• Weighted residual factors for all reflections included in the refinement: 0.2033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No