Information card for entry 4087590

Structure parameters

• Formula: C21 H20 Cr F N O3 Pd
• Calculated formula: C21 H20 Cr F N O3 Pd
• SMILES: c12cc(ccc1C[N](C)(C)[Pd]132[CH](=[CH]1C3)[c]12[cH]3[cH]4[cH]5[cH]6[cH]1[Cr]23456(C#[O])(C#[O])C#[O])F
• Title of publication: Stabilization of an Electron-Unsaturated Pd(I)‒Pd(I) Unit by Double Hemichelation
• Authors of publication: Werlé, Christophe; Karmazin, Lydia; Bailly, Corinne; Ricard, Louis; Djukic, Jean-Pierre
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 3055
• a: 7.1911 ± 0.0004 Å
• b: 21.0851 ± 0.0012 Å
• c: 14.4066 ± 0.0006 Å
• α: 90°
• β: 113.355 ± 0.002°
• γ: 90°
• Cell volume: 2005.43 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0396
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No