Information card for entry 4324483

Structure parameters

• Formula: C11 H11 N2 O5 Re
• Calculated formula: C11 H11 N2 O5 Re
• SMILES: [Re]1(OC(=CC(=[O]1)C)C)([n]1cc[nH]c1)(C#[O])(C#[O])C#[O]
• Title of publication: Curcumin as the OO Bidentate Ligand in "2 + 1" Complexes with the [M(CO)3]+ (M = Re,99mTc) Tricarbonyl Core for Radiodiagnostic Applications
• Authors of publication: Marina Sagnou; Dimitra Benaki; Charalampos Triantis; Theodoros Tsotakos; Vassilis Psycharis; Catherine P. Raptopoulou; Ioannis Pirmettis; Minas Papadopoulos; Maria Pelecanou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1295 - 1303
• a: 13.5512 ± 0.0003 Å
• b: 13.6051 ± 0.0002 Å
• c: 15.1648 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2795.86 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No