Information card for entry 4338410

Structure parameters

• Formula: C57 H68 Cl3 F6 N8 O2 P Pd4
• Calculated formula: C57 H68 Cl3 F6 N8 O2 P Pd4
• SMILES: c1c2c3cc4c1N([Pd]1(c5c(cccc5)C[N]1(C)C)O4)CCc1cccc[n]1[Pd]1(c4ccccc4C[N]1(C)C)[Cl][Pd]1(c4ccccc4C[N]1(C)C)[n]1c(CCN2[Pd]2(c4c(cccc4)C[N]2(C)C)O3)cccc1.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Reversible switching of the coordination modes of a pyridine-functionalized quinonoid zwitterion; its di- and tetranuclear palladium complexes.
• Authors of publication: Ghisolfi, Alessio; Waldvogel, Audrey; Routaboul, Lucie; Braunstein, Pierre
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 5515 - 5526
• a: 13.7587 ± 0.0008 Å
• b: 16.4948 ± 0.001 Å
• c: 16.8929 ± 0.001 Å
• α: 67.263 ± 0.001°
• β: 72.179 ± 0.001°
• γ: 67.758 ± 0.001°
• Cell volume: 3215 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1356
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2213
• Weighted residual factors for all reflections included in the refinement: 0.246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No