Information card for entry 7056371

Structure parameters

• Formula: C52 H44 Cl2 N14 O8 Pd2
• Calculated formula: C52 H44 Cl2 N14 O8 Pd2
• SMILES: [Pd]12([n]3c(N([Pd]456)N=C(C(=[N]4Nc4[n]5cccc4)c4ccccc4)c4ccccc4)cccc3)[n]3ccccc3N[N]1=C(C(=NN2c1cccc[n]61)c1ccccc1)c1ccccc1.[O-]Cl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-].N#CC.C(#N)C
• 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
• Journal volume: 41
• Journal issue: 15
• Pages of publication: 7384 - 7391
• a: 10.5484 ± 0.0016 Å
• b: 11.4088 ± 0.0014 Å
• c: 13.033 ± 0.002 Å
• α: 66.797 ± 0.015°
• β: 67.828 ± 0.015°
• γ: 89.922 ± 0.011°
• Cell volume: 1314.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No