Information card for entry 4323136

Structure parameters

• Chemical name: Tris(diethylammonium) (μ2-diethylamido)-bis(μ2-chloro)- -hexachloro-di-molybdenum(III)
• Formula: C16 H46 Cl8 Mo2 N4
• Calculated formula: C16 H46 Cl8 Mo2 N4
• SMILES: [Mo]123([Mo]([Cl]1)([Cl]2)(Cl)(Cl)(Cl)[N]3(CC)CC)(Cl)(Cl)Cl.[NH2+](CC)CC.[NH2+](CC)CC.[NH2+](CC)CC
• 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: 10.335 ± 0.001 Å
• b: 18.061 ± 0.001 Å
• c: 16.775 ± 0.001 Å
• α: 90°
• β: 95.558 ± 0.008°
• γ: 90°
• Cell volume: 3116.5 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0702
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections: 0.1324
• Weighted residual factors for significantly intense reflections: 0.1149
• Goodness-of-fit parameter for all reflections: 1.108
• Goodness-of-fit parameter for significantly intense reflections: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No