Information card for entry 4311925

Structure parameters

• Formula: C34 H40 Cl N2 O2 P Pd
• Calculated formula: C34 H40 Cl N2 O2 P Pd
• SMILES: [Pd]1([N](=C2C(O1)=CC(=O)C(=C2)NCC(C)(C)C)CC(C)(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl
• 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: 12.859 ± 0.001 Å
• b: 10.529 ± 0.001 Å
• c: 24.102 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3263.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No