Information card for entry 4322340

Structure parameters

• Chemical name: Bis(trans-dichloro-bis(4-tert-butylpyridine))-di-molibdenum (II), D2h-isomer, benzene solvate
• Formula: C42 H58 Cl4 Mo2 N4
• Calculated formula: C42 H58 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: 11.616 ± 0.0002 Å
• b: 13.12 ± 0.002 Å
• c: 17.071 ± 0.002 Å
• α: 67.95 ± 0.004°
• β: 82.573 ± 0.004°
• γ: 68.231 ± 0.005°
• Cell volume: 2239.2 ± 0.4 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: 0.0508
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections: 0.1103
• Weighted residual factors for significantly intense reflections: 0.1003
• Goodness-of-fit parameter for all reflections: 1.067
• Goodness-of-fit parameter for significantly intense reflections: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No