Information card for entry 2011149

Structure parameters

• Chemical name: triethylammonium cis-tetrachlorodi(4-ethylpyridine)molybdenum(III)
• Formula: C20 H34 Cl4 Mo N3
• Calculated formula: C20 H34 Cl4 Mo N3
• SMILES: [Mo](Cl)(Cl)(Cl)(Cl)([n]1ccc(cc1)CC)[n]1ccc(cc1)CC.[NH+](CC)(CC)CC
• Title of publication: A 4-ethylpyridine complex of tetrachloromolybdenum(III) and its oxidation product
• Authors of publication: Modec, Barbara; Brenčič, Jurij V.; Golič, Ljubo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 780 - 782
• a: 19.7025 ± 0.0009 Å
• b: 7.766 ± 0.002 Å
• c: 16.7929 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2569.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes