Information card for entry 7011021

Structure parameters

• Formula: C16 H20 N6 O2 Pd
• Calculated formula: C16 H20 N6 O2 Pd
• SMILES: [Pd]12([N](=NN(O1)C)c1c(cccc1)C)ON(N=[N]2c1c(cccc1)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: 8.223 ± 0.002 Å
• b: 8.536 ± 0.002 Å
• c: 14.29 ± 0.003 Å
• α: 103.96 ± 0.03°
• β: 95.8 ± 0.03°
• γ: 107.42 ± 0.03°
• Cell volume: 912.4 ± 0.4 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: 0.0266
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for all reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.0573
• Goodness-of-fit parameter for all reflections: 1.086
• Goodness-of-fit parameter for significantly intense reflections: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No