Information card for entry 4343483

Structure parameters

• Common name: Pd(k1-N-m-COHArNO)2(CNArDipp2)2
• Formula: C76 H84 N4 O4 Pd
• Calculated formula: C76 H84 N4 O4 Pd
• SMILES: [Pd]([N](=O)c1cc(C=O)ccc1)([N](=O)c1cccc(C=O)c1)(C#[N]c1c(c2c(cccc2C(C)C)C(C)C)cccc1c1c(cccc1C(C)C)C(C)C)C#[N]c1c(c2c(C(C)C)cccc2C(C)C)cccc1c1c(C(C)C)cccc1C(C)C
• 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: 17.7788 ± 0.0009 Å
• b: 16.2474 ± 0.0006 Å
• c: 24.6849 ± 0.0011 Å
• α: 90°
• β: 107.67 ± 0.002°
• γ: 90°
• Cell volume: 6794.1 ± 0.5 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: 0.1106
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No