Information card for entry 4332761

Structure parameters

• Formula: C28 H46 I4 N10 Pd2
• Calculated formula: C28 H46 I4 N10 Pd2
• SMILES: I[Pd]1(=C2N(CCCC)C=CN2CN2C(N(CCCC)C=N2)=[Pd](I)(I)=C2N(CCCC)C=CN2CN2C=1N(CCCC)C=N2)I
• Title of publication: Syntheses and Characterization of Unsymmetric Dicationic Salts Incorporating Imidazolium and Triazolium Functionalities
• Authors of publication: Wang, Ruihu; Jin, Chuan-Ming; Twamley, Brendan; Shreeve, Jean'ne M.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6396 - 6403
• a: 7.8006 ± 0.0005 Å
• b: 15.262 ± 0.0009 Å
• c: 15.8084 ± 0.001 Å
• α: 90°
• β: 94.813 ± 0.001°
• γ: 90°
• Cell volume: 1875.4 ± 0.2 ų
• Cell temperature: 87 ± 2 K
• Ambient diffraction temperature: 87 ± 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: 0.0502
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No