Information card for entry 4069116

Structure parameters

• Formula: C8 H19 Cl3 Mo N S2
• Calculated formula: C8 H19 Cl3 Mo N S2
• SMILES: [Mo]12(Cl)(Cl)(Cl)[S](CC)CC[NH]1CC[S]2CC
• Title of publication: Bis(alkylthioethyl)amine Complexes of Molybdenum
• Authors of publication: Downing, Stephen P.; Hanton, Martin J.; Slawin, Alexandra M. Z.; Tooze, Robert P.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 8
• Pages of publication: 2417
• a: 7.645 ± 0.002 Å
• b: 13.197 ± 0.003 Å
• c: 14.447 ± 0.004 Å
• α: 90°
• β: 90.389 ± 0.007°
• γ: 90°
• Cell volume: 1457.5 ± 0.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No