Information card for entry 7011020

Structure parameters

• Formula: C18 H28 N6 O2 Pd
• Calculated formula: C20 H28 N6 O2 Pd
• Title of publication: cis‒trans isomerism and rotational isomerism in triazene-1-oxide bis-chelates of palladium(II)
• Authors of publication: Zbigniew Ciunik; Juliusz A. Wolny; Mikołaj F. Rudolf; Stanisław Wołowiec
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 885 - 895
• a: 10.307 ± 0.002 Å
• b: 7.982 ± 0.002 Å
• c: 13.628 ± 0.003 Å
• α: 90°
• β: 97.12 ± 0.03°
• γ: 90°
• Cell volume: 1112.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No