Information card for entry 7009125

Structure parameters

• Formula: C24 H52 N4 S12 W2
• Calculated formula: C24 H48 N4 S12 W2
• Title of publication: Molybdenum and tungsten complexes of the N(CH2CH2S)33− (NS3) ligand with oxide, sulfide, diazenide, hydrazide and nitrosyl co-ligands
• Authors of publication: Davies, Sian C.; Hughes, David L.; Richards, Raymond L.; Sanders, J. Roger
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 719
• a: 12.2952 ± 0.0014 Å
• b: 13.9137 ± 0.0015 Å
• c: 11.6072 ± 0.0014 Å
• α: 90°
• β: 107.072 ± 0.01°
• γ: 90°
• Cell volume: 1898.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0714
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections: 0.1304
• Weighted residual factors for significantly intense reflections: 0.1126
• Goodness-of-fit parameter for all reflections: 1
• Goodness-of-fit parameter for significantly intense reflections: 1.043
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No