Information card for entry 4311926

Structure parameters

• Formula: C44 H56 N4 O4 Pd2
• Calculated formula: C44 H56 N4 O4 Pd2
• SMILES: O1c2cc3O[Pd]4(N(c3cc2N([Pd]21[n]1c3c(C2)cccc3ccc1)CC(C)(C)C)CC(C)(C)C)[n]1c2c(C4)cccc2ccc1.O1CCCC1.O1CCCC1
• 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: 15.612 ± 0.002 Å
• b: 12.394 ± 0.002 Å
• c: 22.147 ± 0.002 Å
• α: 90°
• β: 107.84 ± 0.05°
• γ: 90°
• Cell volume: 4079.3 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No