Information card for entry 4313752

Structure parameters

• Formula: C42 H68 N12 Pd2
• Calculated formula: C42 H68 N12 Pd2
• SMILES: [Pd]1([n]2ccc(C(C)(C)C)n2[Pd](n2[n]1c(cc2)C(C)(C)C)(n1nc(cc1)C(C)(C)C)[n]1[nH]c(cc1)C(C)(C)C)([n]1[nH]c(cc1)C(C)(C)C)n1nc(cc1)C(C)(C)C
• 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: 13.262 ± 0.001 Å
• b: 21.008 ± 0.002 Å
• c: 18.5598 ± 0.0004 Å
• α: 90°
• β: 108.526 ± 0.0005°
• γ: 90°
• Cell volume: 4902.9 ± 0.6 ų
• Cell temperature: 297.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No