Information card for entry 4343484

Structure parameters

• Common name: Pd(k1-N-p-BrArNO)2(CNArDipp2)2
• Formula: C82 H102 Br2 N4 O4 Pd
• Calculated formula: C82 H102 Br2 N4 O4 Pd
• SMILES: Brc1ccc([N](=O)[Pd](C#[N]c2c(cccc2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)(C#[N]c2c(cccc2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[N](=O)c2ccc(Br)cc2)cc1.C(C)OCC.C(C)OCC
• 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: 14.1466 ± 0.0014 Å
• b: 17.591 ± 0.0018 Å
• c: 17.0139 ± 0.0018 Å
• α: 90°
• β: 114.09 ± 0.001°
• γ: 90°
• Cell volume: 3865.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0684
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No