Information card for entry 7023983

Structure parameters

• Formula: C27 H29 Mn N O3 P
• Calculated formula: C27 H29 Mn N O3 P
• Title of publication: Phosphine-substituted sterically encumbered pyrrolyl ligands - synthesis and reactivity studies.
• Authors of publication: Kreye, Markus; Runyon, Jason W.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 48
• Pages of publication: 16846 - 16856
• a: 12.2638 ± 0.0005 Å
• b: 11.1697 ± 0.0004 Å
• c: 19.4812 ± 0.0007 Å
• α: 90°
• β: 103.593 ± 0.004°
• γ: 90°
• Cell volume: 2593.84 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No