Information card for entry 7009123

Structure parameters

• Formula: C12 H17 Mo N3 S3
• Calculated formula: C12 H16 Mo N3 S3
• 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: 15.1833 ± 0.0014 Å
• b: 12.2873 ± 0.0014 Å
• c: 16.861 ± 0.002 Å
• α: 90 ± 0.009°
• β: 90 ± 0.008°
• γ: 90 ± 0.008°
• Cell volume: 3145.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.103
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections: 0.1137
• Weighted residual factors for significantly intense reflections: 0.0852
• Goodness-of-fit parameter for all reflections: 0.994
• Goodness-of-fit parameter for significantly intense reflections: 1.142
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No