Information card for entry 4343491

Structure parameters

• Common name: Pd(h2-N,O-PhNO)(CNArDipp2)2
• Formula: C68 H79 N3 O Pd
• Calculated formula: C68 H79 N3 O Pd
• SMILES: [Pd]1(C#[N]c2c(c3c(C(C)C)cccc3C(C)C)cccc2c2c(C(C)C)cccc2C(C)C)(C#[N]c2c(c3c(C(C)C)cccc3C(C)C)cccc2c2c(C(C)C)cccc2C(C)C)ON1c1ccccc1
• Title of publication: Solution Dynamics of Redox Noninnocent Nitrosoarene Ligands: Mapping the Electronic Criteria for the Formation of Persistent Metal-Coordinated Nitroxide Radicals.
• Authors of publication: Barnett, Brandon R.; Labios, Liezel A.; Moore, Curtis E.; England, Jason; Rheingold, Arnold L.; Wieghardt, Karl; Figueroa, Joshua S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 7110 - 7121
• a: 25.3884 ± 0.0011 Å
• b: 11.7589 ± 0.0005 Å
• c: 19.8229 ± 0.0009 Å
• α: 90°
• β: 98.724 ± 0.001°
• γ: 90°
• Cell volume: 5849.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.046
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No