Information card for entry 4076192

Structure parameters

• Formula: C21 H29 N3 O6 Pd
• Calculated formula: C21 H29 N3 O6 Pd
• SMILES: [Pd]12([n]3c(C4OC[C@H]([N]1=4)C(C)C)cccc3C(=O)N2[C@H](C(C)C)COC(=O)C)OC(=O)C
• Title of publication: Observed Instability of Bound Pybox Ligands towards Acetate Counterions
• Authors of publication: Kazi, Abul B.; Jones, Gavin D.; Vicic, David A.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 24
• Pages of publication: 6051
• a: 11.169 Å
• b: 7.178 Å
• c: 28.218 Å
• α: 90°
• β: 90.36°
• γ: 90°
• Cell volume: 2262.22 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No