Information card for entry 4300247

Structure parameters

• Chemical name: 1,1,2,2-bis(cyclohexylamine)-bis(trimethylphosphine)-tetrachloro- -di-molybdenum (II, II)
• Formula: C18 H44 Cl4 Mo2 N2 P2
• Calculated formula: C18 H44 Cl4 Mo2 N2 P2
• SMILES: [Mo]([Mo]([P](C)(C)C)([P](C)(C)C)(Cl)Cl)(Cl)(Cl)([NH2]C1CCCCC1)[NH2]C1CCCCC1
• 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: 10.963 ± 0.003 Å
• b: 10.117 ± 0.002 Å
• c: 13.323 ± 0.004 Å
• α: 90°
• β: 90.05 ± 0.02°
• γ: 90°
• Cell volume: 1477.7 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.0909
• Goodness-of-fit parameter for all reflections: 1.096
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No