Information card for entry 4075108

Structure parameters

• Chemical name: not known
• Formula: C36 H51 Nd O9 S3
• Calculated formula: C36 H51 Nd O9 S3
• 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: 9.6455 ± 0.0001 Å
• b: 15.2867 ± 0.0002 Å
• c: 15.6504 ± 0.0002 Å
• α: 116.941 ± 0.0005°
• β: 99.3467 ± 0.0007°
• γ: 94.9344 ± 0.0007°
• Cell volume: 1996.17 ± 0.04 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No