Information card for entry 4313748

Structure parameters

• Formula: C18 H18 N12 Pd3
• Calculated formula: C18 H18 N12 Pd3
• SMILES: [Pd]123[n]4n(ccc4)[Pd]4([n]5n(ccc5)[Pd]([n]5n1ccc5)([n]1n3ccc1)[n]1n4ccc1)[n]1n2ccc1
• Title of publication: Pyrazolato-Bridged Polynuclear Palladium and Platinum Complexes. Synthesis, Structure, and Reactivity
• Authors of publication: Umakoshi, Keisuke; Yamauchi, Yoko; Nakamiya, Keiko; Kojima, Takashi; Yamasaki, Mikio; Kawano, Hiroyuki; Onishi, Masayoshi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Journal issue: 12
• Pages of publication: 3907 - 3916
• a: 16.9731 ± 0.0002 Å
• b: 16.9731 ± 0.0002 Å
• c: 30.6315 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8824.5 ± 0.2 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No