Information card for entry 4084740

Structure parameters

• Formula: C58 H65 Cl2 N6
• Calculated formula: C58 H60 Cl2 N6
• Title of publication: Ethylene Polymerization at High Temperatures Catalyzed by Double-Decker-Type Dinuclear Iron and Cobalt Complexes: Dimer Effect on Stability of the Catalyst and Polydispersity of the Product
• Authors of publication: Takeuchi, Daisuke; Takano, Shigenaga; Takeuchi, Yuji; Osakada, Kohtaro
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5316
• a: 8.5603 ± 0.0005 Å
• b: 15.9394 ± 0.0003 Å
• c: 20.7631 ± 0.0005 Å
• α: 67.442 ± 0.006°
• β: 86.579 ± 0.008°
• γ: 78.161 ± 0.007°
• Cell volume: 2560.1 ± 0.2 ų
• Cell temperature: 113.1 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1281
• Residual factor for significantly intense reflections: 0.0962
• Weighted residual factors for significantly intense reflections: 0.2891
• Weighted residual factors for all reflections included in the refinement: 0.3287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No