Information card for entry 4075111

Structure parameters

• Formula: C54 H106 Al4 Nd2 O4
• Calculated formula: C54 H106 Al4 Nd2 O4
• SMILES: [CH3]1[Nd]23([CH3][Al]1(C)C)([CH3][Al]([CH3]2)(C)C)[O]=C(O[Nd]12([CH3][Al]([CH3]1)(C)C)([CH3][Al]([CH3]2)(C)C)[O]=C(O3)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Structure−Reactivity Relationships in Rare-Earth Metal Carboxylate-Based Binary Ziegler-Type Catalysts
• Authors of publication: Fischbach, Andreas; Perdih, Franc; Herdtweck, Eberhardt; Anwander, Reiner
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 7
• Pages of publication: 1626
• a: 23.5611 ± 0.0002 Å
• b: 19.4031 ± 0.0001 Å
• c: 15.2363 ± 0.0001 Å
• α: 90°
• β: 113.59 ± 0.0003°
• γ: 90°
• Cell volume: 6383.32 ± 0.08 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• 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: 0.023
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.0415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No