Information card for entry 7022856

Structure parameters

• Formula: C31 H34 N2 O
• Calculated formula: C31 H34 N2 O
• SMILES: Oc1c(cccc1c1nc(ccc1)C(Nc1c(cccc1C(C)C)C(C)C)C)c1ccccc1
• 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: 9.6467 ± 0.0012 Å
• b: 24.689 ± 0.003 Å
• c: 11.3413 ± 0.0015 Å
• α: 90°
• β: 110.409 ± 0.003°
• γ: 90°
• Cell volume: 2531.6 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.1604
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 0.808
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No