Information card for entry 4300246

Structure parameters

• Chemical name: 1,1,2,2-bis(n-propylamine)-bis(trimethylphosphine)-tetrachloro- -di-molybdenum (II, II)
• Formula: C12 H36 Cl4 Mo2 N2 P2
• Calculated formula: C12 H36 Cl4 Mo2 N2 P2
• SMILES: C[P](C)([Mo](Cl)([Mo]([NH2]CCC)(Cl)([NH2]CCC)Cl)([P](C)(C)C)Cl)C
• Title of publication: Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 6. Stepwise Substitution of Amines by Tertiary Phosphines and Vice Versa: Stereochemical Hysteresis
• Authors of publication: F. Albert Cotton; Evgeny V. Dikarev; Santiago Herrero
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 609 - 616
• a: 17.737 ± 0.002 Å
• b: 17.737 ± 0.002 Å
• c: 15.6915 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4936.6 ± 0.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for all reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.0625
• Goodness-of-fit parameter for all reflections: 1.175
• Goodness-of-fit parameter for significantly intense reflections: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No