Information card for entry 7020911

Structure parameters

• Formula: C16 H10 Cl7 Mo N2 O3
• Calculated formula: C16 H10 Cl7 Mo N2 O3
• SMILES: C1(C(c2c(N1)cccc2)(Cl)Cl)=[O][Mo](Cl)(Cl)(Cl)([O]=C1C(c2c(N1)cccc2)(Cl)Cl)=O
• 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: 23.062 ± 0.006 Å
• b: 8.432 ± 0.002 Å
• c: 24.351 ± 0.006 Å
• α: 90°
• β: 114.632 ± 0.003°
• γ: 90°
• Cell volume: 4304.4 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No