Information card for entry 7009514

Structure parameters

• Formula: C14 H27 N2 O2 Re S3
• Calculated formula: C14 H27 N2 O2 Re S3
• SMILES: [Re]12([N](CCS1)(CCS2)CCC)(=O)SCCN1CCC(=O)CC1
• Title of publication: Neutral '3 + 1' mixed-ligand oxorhenium(V) complexes with tridentate [S,N,S] chelates and aminoalkanethiols: synthesis, characterization and structure determination ‡
• Authors of publication: Friebe, Matthias; Spies, Hartmut; Seichter, Wilhelm; Leibnitz, Peter; Johannsen, Bernd
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 2471
• a: 12.63 ± 0.004 Å
• b: 12.017 ± 0.002 Å
• c: 14.817 ± 0.004 Å
• α: 90°
• β: 114.68 ± 0.01°
• γ: 90°
• Cell volume: 2043.4 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections: 0.1853
• Weighted residual factors for significantly intense reflections: 0.1714
• Goodness-of-fit parameter for all reflections: 1.071
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No