Information card for entry 7039890

Structure parameters

• Formula: C94 H84 Cl2 Ir2 N4 P4
• Calculated formula: C80 H68 Cl2 Ir2 N4 P4
• Title of publication: Chiral amino-phosphine and amido-phosphine complexes of Ir and Mg. Catalytic applications in olefin hydroamination.
• Authors of publication: Schmid, Bernhard; Frieß, Sibylle; Herrera, Alberto; Linden, Anthony; Heinemann, Frank W.; Locke, Harald; Harder, Sjoerd; Dorta, Romano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 30
• Pages of publication: 12028 - 12040
• a: 22.72621 ± 0.00015 Å
• b: 22.72621 ± 0.00015 Å
• c: 17.6278 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9104.42 ± 0.13 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 106
• Hermann-Mauguin space group symbol: P 42 b c
• Hall space group symbol: P 4c -2ab
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No