Information card for entry 7039889

Structure parameters

• Formula: C54 H54 Mg N2 O2 P2
• Calculated formula: C54 H54 Mg N2 O2 P2
• SMILES: P(N1[Mg]([O]2CCCC2)([O]2CCCC2)N(P(c2ccccc2)c2ccccc2)[C@@H]2[C@@H]1C1c3c(C2c2c1cccc2)cccc3)(c1ccccc1)c1ccccc1.c1ccccc1
• 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: 10.4127 ± 0.0003 Å
• b: 20.6503 ± 0.0003 Å
• c: 11.3111 ± 0.0003 Å
• α: 90°
• β: 113.247 ± 0.003°
• γ: 90°
• Cell volume: 2234.71 ± 0.11 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0473
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No