Information card for entry 4321376

Structure parameters

• Formula: C15 H23 N2 O Re S2
• Calculated formula: C15 H23 N2 O Re S2
• SMILES: [Re]12(=O)(SCCN1CC[N]12CCCC1)Sc1ccc(cc1)C
• Title of publication: Synthesis and Characterization of Mixed-Ligand Oxorhenium Complexes with the SNN Type of Ligand. Isolation of a Novel ReO[SN][S][S] Complex
• Authors of publication: A. Rey; I. Pirmettis; M. Pelecanou; M. Papadopoulos; C. P. Raptopoulou; L. Mallo; C. I. Stassinopoulou; A. Terzis; E. Chiotellis; A. León
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4211 - 4218
• a: 10.231 ± 0.006 Å
• b: 9.277 ± 0.005 Å
• c: 18.316 ± 0.009 Å
• α: 90°
• β: 97.6 ± 0.01°
• γ: 90°
• Cell volume: 1723.2 ± 1.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections: 0.0962
• Weighted residual factors for significantly intense reflections: 0.0929
• Goodness-of-fit parameter for all reflections: 1.086
• Goodness-of-fit parameter for significantly intense reflections: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No