Information card for entry 2101942

Structure parameters

• Common name: Molybdenum Pentachloride
• Chemical name: β-Molybdenum Pentachloride
• Formula: Cl5 Mo
• Calculated formula: Cl5 Mo
• SMILES: [Mo]1(Cl)(Cl)(Cl)(Cl)[Cl][Mo](Cl)(Cl)(Cl)(Cl)[Cl]1
• Title of publication: Three New Polymorphic Forms of Molybdenum Pentachloride
• Authors of publication: Beck, J.; Wolf, F.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 895 - 903
• a: 6.716 ± 0.006 Å
• b: 9.048 ± 0.009 Å
• c: 6.074 ± 0.004 Å
• α: 89.19 ± 0.04°
• β: 118.17 ± 0.05°
• γ: 108.85 ± 0.04°
• Cell volume: 303.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for all reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0438
• Goodness-of-fit parameter for all reflections: 0.965
• Goodness-of-fit parameter for significantly intense reflections: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No