Information card for entry 4322338

Structure parameters

• Chemical name: Bis(trans-dichloro-bis(3,5-di-methylpyridine))-di-molybdenum, D2h-isomer
• Formula: C28 H36 Cl4 Mo2 N4
• Calculated formula: C28 H36 Cl4 Mo2 N4
• SMILES: [Mo]([Mo](Cl)(Cl)([n]1cc(cc(c1)C)C)[n]1cc(cc(c1)C)C)(Cl)(Cl)([n]1cc(cc(c1)C)C)[n]1cc(cc(c1)C)C
• 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: 14.838 ± 0.001 Å
• b: 14.762 ± 0.001 Å
• c: 14.434 ± 0.002 Å
• α: 90°
• β: 90.67 ± 0.008°
• γ: 90°
• Cell volume: 3161.4 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.0795
• Goodness-of-fit parameter for all reflections: 1.136
• Goodness-of-fit parameter for significantly intense reflections: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No