Information card for entry 7023978

Structure parameters

• Formula: C36 H53 K N O3 P
• Calculated formula: C36 H53 K 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: 19.1507 ± 0.0004 Å
• b: 10.3412 ± 0.0002 Å
• c: 18.3019 ± 0.0004 Å
• α: 90°
• β: 105.513 ± 0.002°
• γ: 90°
• Cell volume: 3492.49 ± 0.13 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: 0.0415
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No