Information card for entry 7022858

Structure parameters

• Formula: C33 H36 Cl2 N2 O3 Pd
• Calculated formula: C33 H36 Cl2 N2 O3 Pd
• SMILES: [Pd]12(Oc3c(cccc3c3ccccc3)c3[n]1c(ccc3)C[NH]2c1c(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: 13.471 ± 0.003 Å
• b: 14.913 ± 0.003 Å
• c: 16.595 ± 0.004 Å
• α: 90°
• β: 108.732 ± 0.004°
• γ: 90°
• Cell volume: 3157.2 ± 1.2 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: 0.1428
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No