Information card for entry 4322339

Structure parameters

• Chemical name: Bis(trans-dichloro-bis(3,5-di-methylpyridine)-di-molybdenum (II), D2d-isomer
• Formula: C28 H36 Cl4 Mo2 N4
• Calculated formula: C28 H36 Cl4 Mo2 N4
• SMILES: c1c(cc(c[n]1[Mo]([n]1cc(cc(c1)C)C)(Cl)(Cl)[Mo]([n]1cc(cc(c1)C)C)([n]1cc(cc(c1)C)C)(Cl)Cl)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: 13.738 ± 0.002 Å
• b: 14.0856 ± 0.0005 Å
• c: 16.686 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3228.9 ± 0.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n b
• Hall space group symbol: -P 2b 2n
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections: 0.1168
• Weighted residual factors for significantly intense reflections: 0.1049
• Goodness-of-fit parameter for all reflections: 1.134
• Goodness-of-fit parameter for significantly intense reflections: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No