Information card for entry 4322337

Structure parameters

• Chemical name: Bis(trans-dichloro-bis(4-methylpyridine))-di-molybdenum (II), D2d-isomer
• Formula: C24 H28 Cl4 Mo2 N4
• Calculated formula: C24 H28 Cl4 Mo2 N4
• SMILES: [Mo]([Mo](Cl)(Cl)([n]1ccc(cc1)C)[n]1ccc(cc1)C)(Cl)(Cl)([n]1ccc(cc1)C)[n]1ccc(cc1)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: 9.2958 ± 0.0003 Å
• b: 10.2669 ± 0.0007 Å
• c: 16.254 ± 0.003 Å
• α: 91.9 ± 0.01°
• β: 104.25 ± 0.02°
• γ: 110.458 ± 0.008°
• Cell volume: 1396.5 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections: 0.1337
• Weighted residual factors for significantly intense reflections: 0.1237
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No