Information card for entry 4336701

Structure parameters

• Formula: C33 H33 O4 P2 Re
• Calculated formula: C33 H33 O4 P2 Re
• SMILES: [P](C)(c1ccccc1)([Re]1(OC(=CC(C)=[O]1)C)([P](C)(c1ccccc1)c1ccccc1)(C#[O])C#[O])c1ccccc1
• 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: 21.7703 ± 0.0004 Å
• b: 9.1874 ± 0.0001 Å
• c: 16.274 ± 0.0003 Å
• α: 90 ± 0.001°
• β: 104.73 ± 0.001°
• γ: 90°
• Cell volume: 3148.03 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No