Information card for entry 7011019

Structure parameters

• Formula: C22 H32 N6 O2 Pd
• Calculated formula: C22 H32 N6 O2 Pd
• SMILES: [Pd]12([N](=NN(O1)C)c1c(cccc1)C(C)(C)C)ON(N=[N]2c1c(cccc1)C(C)(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: 14.138 ± 0.003 Å
• b: 9.568 ± 0.002 Å
• c: 17.685 ± 0.004 Å
• α: 90°
• β: 94.49 ± 0.03°
• γ: 90°
• Cell volume: 2385 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No