Information card for entry 7011018

Structure parameters

• Formula: C24 H36 N6 O2 Pd
• Calculated formula: C24 H36 N6 O2 Pd
• SMILES: c1(c(C)c(ccc1)C)[N]1[Pd]2(ON(N=1)C(C)(C)C)[N](=NN(C(C)(C)C)O2)c1c(c(ccc1)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: 8.785 ± 0.001 Å
• b: 16.359 ± 0.002 Å
• c: 9.334 ± 0.001 Å
• α: 90°
• β: 98.55 ± 0.01°
• γ: 90°
• Cell volume: 1326.5 ± 0.3 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: 0.0758
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.1939
• Weighted residual factors for significantly intense reflections: 0.1689
• Goodness-of-fit parameter for all reflections: 1.119
• Goodness-of-fit parameter for significantly intense reflections: 1.152
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No