Information card for entry 4336700

Structure parameters

• Formula: C43 H37 O4 P2 Re
• Calculated formula: C43 H37 O4 P2 Re
• SMILES: c1(ccccc1)[P]([Re]1(C#[O])([P](c2ccccc2)(c2ccccc2)c2ccccc2)(C#[O])OC(=CC(C)=[O]1)C)(c1ccccc1)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: 15.579 ± 0.0002 Å
• b: 9.4479 ± 0.0001 Å
• c: 25.0922 ± 0.0005 Å
• α: 90°
• β: 101.587 ± 0.001°
• γ: 90°
• Cell volume: 3618.03 ± 0.09 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0489
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No