Information card for entry 4069969

Structure parameters

• Common name: Gandelman-75
• Formula: C20 H40 Cl N3 O P2 Pd
• Calculated formula: C20 H40 Cl N3 O P2 Pd
• SMILES: [Pd]12([P](Cc3nnn(C[P]1(C(C)C)C(C)C)c23)(C(C)C)C(C)C)Cl.O1CCCC1
• Title of publication: Synthesis of Novel Bulky, Electron-Rich Propargyl and Azidomethyl Dialkyl Phosphines and Their Use in the Preparation of Pincer Click Ligands
• Authors of publication: Schuster, Elaine M.; Nisnevich, Gennady; Botoshansky, Mark; Gandelman, Mark
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 17
• Pages of publication: 5025
• a: 8.855 ± 0.002 Å
• b: 11.153 ± 0.002 Å
• c: 26.089 ± 0.005 Å
• α: 90°
• β: 90.73 ± 0.02°
• γ: 90°
• Cell volume: 2576.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1267
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No