Information card for entry 4330626

Structure parameters

• Common name: Bis(2,6-dimethylphenylisocyanide) palladium dichloride
• Chemical name: cis-Dichlorobis(2,6-dimethylphenylisocyanide)palladium(II)
• Formula: C18 H18 Cl2 N2 Pd
• Calculated formula: C18 H18 Cl2 N2 Pd
• SMILES: [Pd](Cl)(Cl)(C#[N]c1c(cccc1C)C)C#[N]c1c(cccc1C)C
• Title of publication: Interplay of Metallophilic Interactions, π-π Stacking, and Ligand Substituent Effects in the Structures and Luminescence Properties of Neutral PtII and PdII Aryl Isocyanide Complexes
• Authors of publication: Ilya M. Sluch; Anthea J. Miranda; Oussama Elbjeirami; Mohammad A. Omary; LeGrande M. Slaughter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10728 - 10746
• a: 8.0383 ± 0.0001 Å
• b: 10.4097 ± 0.0001 Å
• c: 10.7831 ± 0.0001 Å
• α: 85.4011 ± 0.0004°
• β: 80.3707 ± 0.0005°
• γ: 87.624 ± 0.0005°
• Cell volume: 886.352 ± 0.016 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0166
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections included in the refinement: 0.0404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No