Information card for entry 7018832

Structure parameters

• Chemical name: bis(2,6-diisopropylphenyl)imido-bis(tert-butylamino)- molybdenum
• Formula: C32 H54 Mo N4
• Calculated formula: C32 H54 Mo N4
• SMILES: [Mo](=Nc1c(cccc1C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)(NC(C)(C)C)NC(C)(C)C
• Title of publication: Application of molybdenum bis(imido) complexes in ethylene dimerisation catalysis.
• Authors of publication: Wright, William R. H.; Batsanov, Andrei S.; Messinis, Antonis M.; Howard, Judith A. K.; Tooze, Robert P.; Hanton, Martin J.; Dyer, Philip W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 18
• Pages of publication: 5502 - 5511
• a: 10.463 ± 0.001 Å
• b: 19.225 ± 0.002 Å
• c: 33.429 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6724.3 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No