Information card for entry 7020109

Structure parameters

• Common name: bis-(Triphenylphosphine)dinitro-palladium(II)
• Formula: C38 H34 Cl4 N2 O4 P2 Pd
• Calculated formula: C38 H34 Cl4 N2 O4 P2 Pd
• SMILES: c1c([P]([Pd](N(=O)=O)(N(=O)=O)[P](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cccc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Photoactivated linkage isomerism in single crystals of nickel, palladium and platinum di-nitro complexes - a photocrystallographic investigation.
• Authors of publication: Warren, Mark R.; Brayshaw, Simon K.; Hatcher, Lauren E.; Johnson, Andrew L.; Schiffers, Stefanie; Warren, Anna J.; Teat, Simon J.; Warren, John E.; Woodall, Christopher H.; Raithby, Paul R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 42
• Pages of publication: 13173 - 13179
• a: 20.69 ± 0.018 Å
• b: 8.069 ± 0.007 Å
• c: 23.51 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3925 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No