Information card for entry 4350305

Structure parameters

• Formula: C24 H30 N5 O5 Re S
• Calculated formula: C24 H30 N5 O5 Re S
• SMILES: [Re]123(SCC(=O)N2CC(=O)O1)(=O)[n]1ccccc1C=[N]3CCCN1CCN(CC1)c1c(OC)cccc1
• Title of publication: Synthesis and characterization of novel "3 + 2" oxorhenium complexes, ReO[SNO][NN].
• Authors of publication: Chiotellis, Aris; Tsoukalas, Charalambos; Pelecanou, Maria; Papadopoulos, Apostolos; Raptopoulou, Catherine; Terzis, Aris; Pirmettis, Ioannis; Papadopoulos, Minas; Chiotellis, Efstratios
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5635 - 5640
• a: 14.269 ± 0.006 Å
• b: 10.548 ± 0.005 Å
• c: 33.9 ± 0.02 Å
• α: 90°
• β: 91.87 ± 0.02°
• γ: 90°
• Cell volume: 5100 ± 4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: A 1 2/n 1
• Hall space group symbol: -A 2yab
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No