Information card for entry 7028247

Structure parameters

• Formula: C8 H16 Cl4 Mo S2
• Calculated formula: C8 H16 Cl4 Mo S2
• Title of publication: The interaction of molybdenum pentachloride with O- and S-heterocycles.
• Authors of publication: Favero, Lucilla; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 495 - 504
• a: 8.14 ± 0.003 Å
• b: 9.388 ± 0.003 Å
• c: 9.575 ± 0.004 Å
• α: 90°
• β: 97.093 ± 0.005°
• γ: 90°
• Cell volume: 726.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No