Information card for entry 7016105

Structure parameters

• Formula: C12 H12 Cl2 N2 O2 Pd
• Calculated formula: C12 H12 Cl2 N2 O2 Pd
• SMILES: [Pd]1([N](=Cc2[n]1cccc2)c1ccc(cc1)O)(Cl)Cl.O
• Title of publication: Unsymmetrical diimine chelation to M(ii) (M = Zn, Cd, Pd): atropisomerism, pi-pi stacking and photoluminescence.
• Authors of publication: Saha Roy, Amit; Saha, Pinaki; Mitra, Partha; Sundar Maity, Shyam; Ghosh, Sanjib; Ghosh, Prasanta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 28
• Pages of publication: 7375 - 7384
• a: 10.068 ± 0.004 Å
• b: 15.311 ± 0.006 Å
• c: 18.234 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2811 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No