Information card for entry 4331884

Structure parameters

• Formula: C17 H28 N3 O3.5 Pd
• Calculated formula: C17 H28 N3 O3.5 Pd
• SMILES: [Pd]12([N](Cc3c2c(ccc3)C[N]1(C)C)(C)C)n1ccc(=O)cc1.O.O.O
• Title of publication: Hydroxy- and Mercaptopyridine Pincer Platinum and Palladium Complexes Generated by Silver-Free Halide Abstraction
• Authors of publication: Chuchuryukin, Alexey V.; Chase, Preston A.; Mills, Allison M.; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2045 - 2054
• a: 8.9685 ± 0.0004 Å
• b: 10.3356 ± 0.0006 Å
• c: 20.2901 ± 0.0011 Å
• α: 85.786 ± 0.005°
• β: 87.66 ± 0.004°
• γ: 88.475 ± 0.004°
• Cell volume: 1873.61 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No