Information card for entry 7056370

Structure parameters

• Formula: C24 H22 Cl2 N12 O4 Pd2
• Calculated formula: C24 H22 Cl2 N12 O4 Pd2
• SMILES: c1cccc2N[N]3=CC=NN4[Pd]3([n]12)[n]1c(cccc1)N1[Pd]2([n]3ccccc3N[N]2=CC=N1)[n]1c4cccc1.[Cl-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Palladium(II)-palladium(II) bonding in two open clamshell dinuclear complexes
• Authors of publication: Patra, Shanti G.; Shee, Nirmal K.; Drew, Michael G. B.; Datta, Dipankar
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 16.2703 ± 0.0006 Å
• b: 10.6913 ± 0.0004 Å
• c: 16.8761 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2935.61 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No