Information card for entry 7009121

Structure parameters

• Formula: C12 H24.6 Mo2 N2 O0.3 S7
• Calculated formula: C12 H24 Mo2 N2 O0.3 S7
• 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: 8.3292 ± 0.0005 Å
• b: 8.3292 ± 0.0005 Å
• c: 8.3292 ± 0.0005 Å
• α: 77.833 ± 0.007°
• β: 77.833 ± 0.007°
• γ: 77.833 ± 0.007°
• Cell volume: 543.74 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :R
• Hall space group symbol: -P 3*
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for all reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.0723
• Goodness-of-fit parameter for all reflections: 1.147
• Goodness-of-fit parameter for significantly intense reflections: 1.187
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No