Information card for entry 8106001

Structure parameters

• Formula: C60 H80 Cl8 N6 Pd2
• Calculated formula: C60 H80 Cl8 N6 Pd2
• SMILES: [Pd](Cl)(Cl)([n]1c[n]([Pd](Cl)(Cl)=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)ccc1)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.ClCCl.ClCCl
• Title of publication: The crystal structure of tetrachlorido-bis{1,3-bis(2,6-diisopropylphenyl)-1H-3λ4-imidazol-2-yl}-(μ2-pyrimidine-κ2N:N′)dipalladium(IV) — dichloromethane (1/2), C60H80Cl8N6Pd2
• Authors of publication: Zhao, Xiao-Yun; Chen, Lian-Hui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 6
• Pages of publication: 1265 - 1268
• a: 10.8703 ± 0.001 Å
• b: 17.0284 ± 0.0015 Å
• c: 18.9595 ± 0.0017 Å
• α: 83.196 ± 0.001°
• β: 88.909 ± 0.002°
• γ: 71.523 ± 0.002°
• Cell volume: 3304.5 ± 0.5 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.1119
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No