Information card for entry 4311924

Structure parameters

• Formula: C26 H33 Cl0 N3 O2 Pd
• Calculated formula: C26 H33 N3 O2 Pd
• SMILES: [Pd]12(OC3=CC(=O)C(NCC(C)(C)C)=CC3=[N]1CC(C)(C)C)[n]1c3c(cccc3C2)ccc1
• Title of publication: Stepwise Synthesis, Structures, and Reactivity of Mono-, Di-, and Trimetallic Metal Complexes with a 6π + 6π Quinonoid Zwitterion
• Authors of publication: Jean-Philippe Taquet; Olivier Siri; Pierre Braunstein; Richard Welter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6944 - 6953
• a: 18.708 ± 0.005 Å
• b: 13.535 ± 0.005 Å
• c: 19.687 ± 0.005 Å
• α: 90°
• β: 95.71 ± 0.005°
• γ: 90°
• Cell volume: 4960 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1207
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No