Information card for entry 4322342

Structure parameters

• Chemical name: Bis(trans-dichloro-bis(4-tert-butylpyridine))-di-molybdenum (II), D2-isomer, hexane solvate
• Formula: C40.5 H62.5 Cl4 Mo2 N4
• Calculated formula: C40.476 H51.91 Cl4 Mo2 N4
• Title of publication: Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 4. Rotational Isomers of Mo2Cl4(R-py)4 (R-py = 4-Picoline, 3,5-Lutidine, and 4-tert-Butylpyridine)
• Authors of publication: F. Albert Cotton; Evgeny V. Dikarev; Santiago Herrero; Barbara Modec
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4882 - 4887
• a: 15.001 ± 0.001 Å
• b: 15.261 ± 0.001 Å
• c: 21.785 ± 0.001 Å
• α: 90°
• β: 103.79 ± 0.006°
• γ: 90°
• Cell volume: 4843.5 ± 0.5 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: 0.074
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections: 0.1552
• Weighted residual factors for significantly intense reflections: 0.1342
• Goodness-of-fit parameter for all reflections: 1.087
• Goodness-of-fit parameter for significantly intense reflections: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No