Information card for entry 7018834

Structure parameters

• Formula: C18 H32 Al Cl3 Mo N2
• Calculated formula: C18 H32 Al Cl3 Mo N2
• SMILES: [Mo]1([Cl][Al](Cl)(Cl)N1c1c(cccc1C(C)C)C(C)C)(=NC(C)(C)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: 9.046 ± 0.001 Å
• b: 16.3938 ± 0.0018 Å
• c: 16.6047 ± 0.0019 Å
• α: 90°
• β: 101.757 ± 0.01°
• γ: 90°
• Cell volume: 2410.8 ± 0.5 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No