Information card for entry 4116645

Structure parameters

• Chemical name: Bis(trans-dichloro-bis(4-tert-butylpyridine))-di-molybdenum (II), D2-isomer, acetone solvate
• Formula: C39 H58 Cl4 Mo2 N4 O
• Calculated formula: C39 H56.5 Cl4 Mo2 N4 O
• Title of publication: Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 5. Experimental and Theoretical Study of the Rotation Conformational Preferences of Mo2Cl4(R-py)4 (R-py = Substituted Pyridine) Molecules
• Authors of publication: F. Albert Cotton; Evgeny V. Dikarev; Jiande Gu; Santiago Herrero; Barbara Modec
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 11758 - 11761
• a: 33.092 ± 0.001 Å
• b: 10.215 ± 0.0002 Å
• c: 28.944 ± 0.002 Å
• α: 90°
• β: 103.282 ± 0.003°
• γ: 90°
• Cell volume: 9522.4 ± 0.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections: 0.1103
• Weighted residual factors for significantly intense reflections: 0.1028
• Goodness-of-fit parameter for all reflections: 1.102
• Goodness-of-fit parameter for significantly intense reflections: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No