Information card for entry 4343481

Structure parameters

• Common name: Pd(k1-N-m-ClC6H4NO)2(CNArDipp2)2
• Formula: C82 H102 Cl2 N4 O4 Pd
• Calculated formula: C82 H102 Cl2 N4 O4 Pd
• SMILES: [N](=O)([Pd](C#[N]c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C#[N]c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[N](=O)c1cc(ccc1)Cl)c1cc(ccc1)Cl.CCOCC.CCOCC
• 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: 21.312 ± 0.005 Å
• b: 14.111 ± 0.004 Å
• c: 25.056 ± 0.006 Å
• α: 90°
• β: 97.197 ± 0.003°
• γ: 90°
• Cell volume: 7476 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.1053
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1961
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No