Information card for entry 2233045

Structure parameters

• Chemical name: Bis(μ~2~-η^2^:η^2^-2,4,6-trimethylbenzonitrile)bis[(<i>N</i>-isopropyl- 3,5-dimethylanilido)molybdenum(III)](<i>Mo</i>—<i>Mo</i>)
• Formula: C64 H86 Mo2 N6
• Calculated formula: C64 H86 Mo2 N6
• Title of publication: Bis(μ~2~-η^2^:η^2^-2,4,6-trimethylbenzonitrile)bis[(<i>N</i>-isopropyl-3,5-dimethylanilido)molybdenum(III)](<i>Mo</i>—<i>Mo</i>)
• Authors of publication: Moroz, Yurii S.; Cozzolino, Anthony F.; Rybak-Akimova, Elena V.; Cummins, Christopher C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1643 - m1644
• a: 13.262 ± 0.002 Å
• b: 17.09 ± 0.003 Å
• c: 13.306 ± 0.002 Å
• α: 90°
• β: 109.387 ± 0.002°
• γ: 90°
• Cell volume: 2844.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1333
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes