Information card for entry 4063778

Structure parameters

• Formula: C50 H78 Ba I N3 O5
• Calculated formula: C50 H78 Ba I N3 O5
• Title of publication: 2,5-Bis{N-(2,6-diisopropylphenyl)iminomethyl}pyrrolyl Complexes of the Heavy Alkaline Earth Metals: Synthesis, Structures, and Hydroamination Catalysis
• Authors of publication: Jenter, Jelena; Köppe, Ralf; Roesky, Peter W.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1404
• a: 10.979 ± 0.002 Å
• b: 31.676 ± 0.006 Å
• c: 15.769 ± 0.003 Å
• α: 90°
• β: 109.07 ± 0.03°
• γ: 90°
• Cell volume: 5183 ± 1.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.0992
• 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: Yes
• Has Fobs: No