Information card for entry 7025513

Structure parameters

• Formula: C5 H15 Cl5 Mo2 O5
• Calculated formula: C5 H15 Cl5 Mo2 O5
• SMILES: C[O]1[Mo]2([Cl][Mo]12(Cl)(Cl)(OC)OC)(Cl)(Cl)(OC)OC
• Title of publication: A systematic study on the activation of simple polyethers by MoCl5 and WCl6.
• Authors of publication: Dolci, Sara; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 22
• Pages of publication: 5367 - 5376
• a: 12.7518 ± 0.0009 Å
• b: 12.8342 ± 0.0009 Å
• c: 10.3363 ± 0.0007 Å
• α: 90°
• β: 109.041 ± 0.001°
• γ: 90°
• Cell volume: 1599.07 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0199
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No