Information card for entry 4323137

Structure parameters

• Chemical name: Bis(trans-dichloro-bis(diethylamine))-di-molybdenum(II)
• Formula: C16 H44 Cl4 Mo2 N4
• Calculated formula: C16 H44 Cl4 Mo2 N4
• SMILES: C([NH]([Mo](Cl)([NH](CC)CC)(Cl)[Mo]([NH](CC)CC)([NH](CC)CC)(Cl)Cl)CC)C
• 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: 20.846 ± 0.001 Å
• b: 7.044 ± 0.001 Å
• c: 19.868 ± 0.003 Å
• α: 90°
• β: 118.72 ± 0.02°
• γ: 90°
• Cell volume: 2558.5 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• 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: 0.0319
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for all reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.0676
• Goodness-of-fit parameter for all reflections: 1.111
• Goodness-of-fit parameter for significantly intense reflections: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No