Information card for entry 4313751

Structure parameters

• Formula: C12 H18 Cl2 N8 O Pd
• Calculated formula: C12 H18 Cl2 N8 O Pd
• SMILES: [Pd]([n]1[nH]ccc1)([n]1[nH]ccc1)([n]1[nH]ccc1)[n]1[nH]ccc1.[Cl-].[Cl-].O
• 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: 14.303 ± 0.001 Å
• b: 9.949 ± 0.001 Å
• c: 14.5398 ± 0.0004 Å
• α: 90°
• β: 117.088 ± 0.0005°
• γ: 90°
• Cell volume: 1842.1 ± 0.2 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No