Information card for entry 4323139

Structure parameters

• Chemical name: Diethylammonium gauche-tris(μ2-chloro)-tetrachloro- -bis(diethylamine)-di-molybdenum(III), toluene solvate
• Formula: C19 H42 Cl7 Mo2 N3
• Calculated formula: C19 H42 Cl7 Mo2 N3
• Title of publication: Mixed Chloride/Amine Complexes of Dimolybdenum(II). 1. Preparation, Characterization, and Crystal Structure of Mo2Cl4(NHEt2)4: A Quadruply-Bonded Dimolybdenum Compound with Diethylamine Ligands
• Authors of publication: F. Albert Cotton; Evgeny V. Dikarev; Santiago Herrero
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 5862 - 5868
• a: 13.847 ± 0.005 Å
• b: 10.448 ± 0.004 Å
• c: 22.091 ± 0.004 Å
• α: 90°
• β: 96.68 ± 0.02°
• γ: 90°
• Cell volume: 3174.3 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0433
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for all reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.0732
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No