Information card for entry 7022857

Structure parameters

• Formula: C32.5 H33 Cl N2 O3 Pd
• Calculated formula: C32.5 H33 Cl N2 O3 Pd
• SMILES: [Pd]12([N](=Cc3[n]2c(c2c(O1)c(ccc2)c1ccccc1)ccc3)c1c(cccc1C(C)C)C(C)C)OC(=O)C.C(Cl)Cl
• 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: 15.311 ± 0.002 Å
• b: 11.6253 ± 0.0017 Å
• c: 32.923 ± 0.005 Å
• α: 90°
• β: 90.364 ± 0.004°
• γ: 90°
• Cell volume: 5860 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1671
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 0.841
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No