Information card for entry 7009513

Structure parameters

• Formula: C15 H29 N2 O3 Re S3
• Calculated formula: C15 H29 N2 O3 Re S3
• SMILES: [Re]12(SCC[N]2(CCS1)CC)(SCCN1CCC2(OCCO2)CC1)=O
• 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: 14.758 ± 0.003 Å
• b: 10.064 ± 0.001 Å
• c: 14.86 ± 0.007 Å
• α: 90°
• β: 118.32 ± 0.02°
• γ: 90°
• Cell volume: 1942.9 ± 1.1 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 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: 0.0489
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections: 0.1612
• Weighted residual factors for significantly intense reflections: 0.1247
• Goodness-of-fit parameter for all reflections: 1.112
• Goodness-of-fit parameter for significantly intense reflections: 1.123
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No