Information card for entry 4300248

Structure parameters

• Chemical name: 1,1,2,2-bis(cyclohexylamine)-bis(dimethylphenyl phosphine)-tetrachloro- -di-molybdenum (II, II)
• Formula: C28 H48 Cl4 Mo2 N2 P2
• Calculated formula: C28 H48 Cl4 Mo2 N2 P2
• SMILES: [Mo]([Mo](Cl)(Cl)([P](C)(C)c1ccccc1)[P](C)(C)c1ccccc1)(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: 9.329 ± 0.003 Å
• b: 10.206 ± 0.002 Å
• c: 18.975 ± 0.003 Å
• α: 85.45 ± 0.02°
• β: 87.1 ± 0.01°
• γ: 80.88 ± 0.01°
• Cell volume: 1776.9 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections: 0.1391
• Weighted residual factors for significantly intense reflections: 0.1222
• Goodness-of-fit parameter for all reflections: 1.155
• Goodness-of-fit parameter for significantly intense reflections: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No