Information card for entry 7022862

Structure parameters

• Formula: C39 H49 Cl2 N2 O3 Pd
• Calculated formula: C29 H26 N2 O3 Pd
• SMILES: [Pd]12([N](=Cc3[n]2c(c2c(O1)c(ccc2)c1ccccc1)ccc3)c1c(cc(cc1C)C)C)OC(=O)C
• Title of publication: From discrete monomeric complexes to hydrogen-bonded dimeric assemblies based on sterically encumbered square planar palladium(II) ONN-pincers.
• Authors of publication: Adeyi, Okoh; Cross, Warren B.; Forrest, Gregory; Godfrey, Luke; Hope, Eric G.; McLeod, Andrew; Singh, Amandeep; Singh, Kuldip; Solan, Gregory A.; Wang, Yining; Wright, Luka A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 21
• Pages of publication: 7710 - 7723
• a: 20.075 ± 0.008 Å
• b: 20.075 ± 0.008 Å
• c: 28.842 ± 0.017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11623 ± 9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1453
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No