Information card for entry 4064224

Structure parameters

• Formula: C38 H74 Al3 Cl13 N6 O12
• Calculated formula: C38 H74 Al3 Cl13 N6 O12
• SMILES: C1(N(CC)CC)=[O][Al]2(OC(N(CC)CC)=[O][Al]34(O1)([O]=C(N(CC)CC)O[Al]([O]=C(N(CC)CC)O3)([O]=C(N(CC)CC)O4)CC)OC(N(CC)CC)=[O]2)CC.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[Cl-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Ethylene Polymerization by Niobium(V)N,N-Dialkylcarbamates Activated with Aluminum Co-catalysts
• Authors of publication: Marchetti, Fabio; Pampaloni, Guido; Patil, Yogesh; Galletti, Anna Maria Raspolli; Renili, Filippo; Zacchini, Stefano
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1682
• a: 10.74 ± 0.0017 Å
• b: 12.601 ± 0.002 Å
• c: 13.359 ± 0.002 Å
• α: 71.43 ± 0.002°
• β: 68.02 ± 0.002°
• γ: 75.711 ± 0.002°
• Cell volume: 1572.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1194
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No