Information card for entry 7011022

Structure parameters

• Formula: C18 H24 N6 O2 Pd
• Calculated formula: C18 H24 N6 O2 Pd
• SMILES: [Pd]12([N](=NN(O1)C)c1c(cc(cc1)C)C)ON(N=[N]2c1c(cc(cc1)C)C)C
• 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: 9.098 ± 0.002 Å
• b: 9.918 ± 0.002 Å
• c: 13.036 ± 0.003 Å
• α: 88.08 ± 0.03°
• β: 74.01 ± 0.03°
• γ: 65.39 ± 0.03°
• Cell volume: 1023.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0757
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No