Information card for entry 7046309

Structure parameters

• Formula: C27 H43 Cl2 N2 P Pd
• Calculated formula: C27 H43 Cl2 N2 P Pd
• Title of publication: Reactivity studies of an imine-functionalised phosphaalkene; unusual electrostatic and supramolecular stabilisation of a σ²λ³-phosphorus motif via hydrogen bonding.
• Authors of publication: Morales Salazar, Daniel; Gupta, Arvind Kumar; Orthaber, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 31
• Pages of publication: 10404 - 10409
• a: 17.607 ± 0.0007 Å
• b: 10.5766 ± 0.0004 Å
• c: 15.3298 ± 0.0007 Å
• α: 90°
• β: 96.971 ± 0.003°
• γ: 90°
• Cell volume: 2833.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1188
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No