Information card for entry 7008804

Structure parameters

• Formula: C34 H28 N2 O4 P Re S
• Calculated formula: C34 H28 N2 O4 P Re S
• SMILES: [Re]123(SCC(=O)N2CC(=O)N3c2ccccc2O1)=O.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and structural characterization of new oxorhenium and oxotechnetium complexes with XN2S-tetradentate semi-rigid ligands (X = O, S, N)
• Authors of publication: Le Gal, Julien; Tisato, Francesco; Bandoli, Giuliano; Gressier, Marie; Jaud, Joël; Michaud, Sandra; Dartiguenave, Michèle; Benoist, Eric
• Journal of publication: Dalton Transactions
• Year of publication: 2005
• Journal issue: 23
• Pages of publication: 3800
• a: 9.6 ± 0.004 Å
• b: 14.588 ± 0.003 Å
• c: 21.525 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3014.5 ± 1.9 ų
• Cell temperature: 298 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No