Information card for entry 1563842

Structure parameters

• Formula: C10 H26 Cl N2 O4 P Pd
• Calculated formula: C10 H26 Cl N2 O4 P Pd
• SMILES: [Pd]12(Cl)P(=O)(OC[C@@H]([NH2]1)C(C)C)OC[C@@H]([NH2]2)C(C)C.O
• Title of publication: From bidentate H-spirophosporane ligand to tridentate phosphonate ligand in palladium chemistry
• Authors of publication: Skarżyńska, Anna; Gniewek, Andrzej
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 483
• Pages of publication: 248 - 251
• a: 18.158 ± 0.006 Å
• b: 9.728 ± 0.004 Å
• c: 9.402 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1660.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No