Information card for entry 4336699

Structure parameters

• Formula: C21 H20 O5 P Re
• Calculated formula: C21 H20 O5 P Re
• SMILES: [Re]1([P](c2ccccc2)(c2ccccc2)C)([O]=C(C)C=C(O1)C)(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and Characterization of fac-[M(CO)3(P)(OO)] and cis-trans-[M(CO)2(P)2(OO)] Complexes (M = Re,99mTc) with Acetylacetone and Curcumin as OO Donor Bidentate Ligands
• Authors of publication: Charalampos Triantis; Theodoros Tsotakos; Charalampos Tsoukalas; Marina Sagnou; Catherine Raptopoulou; Aris Terzis; Vassilis Psycharis; Maria Pelecanou; Ioannis Pirmettis; Minas Papadopoulos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12995 - 13003
• a: 8.15627 ± 0.00015 Å
• b: 8.77185 ± 0.00016 Å
• c: 14.6828 ± 0.0003 Å
• α: 81.1711 ± 0.0009°
• β: 85.3477 ± 0.0009°
• γ: 85.7727 ± 0.0008°
• Cell volume: 1032.62 ± 0.03 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0408
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No