Information card for entry 7020910

Structure parameters

• Formula: C18 H40 Cl4 Mo N4 O2
• Calculated formula: C18 H40 Cl4 Mo N4 O2
• SMILES: C(N(CC)CC)(=[O][Mo](Cl)([O]=C(N(CC)CC)N(CC)CC)(Cl)(Cl)Cl)N(CC)CC
• Title of publication: The interaction of molybdenum pentachloride with carbonyl compounds.
• Authors of publication: Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 2477 - 2487
• a: 8.3472 ± 0.001 Å
• b: 13.0488 ± 0.0015 Å
• c: 12.3362 ± 0.0015 Å
• α: 90°
• β: 90.835 ± 0.001°
• γ: 90°
• Cell volume: 1343.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.023
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No