Information card for entry 7009122

Structure parameters

• Formula: C7 H15 Mo N3 S3
• Calculated formula: C7 H15 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: 8.4093 ± 0.0007 Å
• b: 10.5438 ± 0.001 Å
• c: 14.0272 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1243.74 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P m c n
• Hall space group symbol: -P 2n 2a
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for all reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0475
• Goodness-of-fit parameter for all reflections: 1.126
• Goodness-of-fit parameter for significantly intense reflections: 1.133
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No