Information card for entry 7020912

Structure parameters

• Formula: C17 H12 Cl7 Mo N2 O4
• Calculated formula: C17 H12 Cl7 Mo N2 O4
• SMILES: [Mo](Cl)(Cl)(Cl)(=O)([O]=C1C(=O)c2ccccc2N1)[O]=C1C(Cl)(Cl)c2ccccc2N1.ClCCl
• 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: 14.3982 ± 0.0015 Å
• b: 9.6192 ± 0.001 Å
• c: 17.9639 ± 0.0019 Å
• α: 90°
• β: 110.317 ± 0.001°
• γ: 90°
• Cell volume: 2333.2 ± 0.4 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: 0.0466
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No