Information card for entry 7019878

Structure parameters

• Formula: C16 H20 Cl N5 Pd
• Calculated formula: C16 H20 Cl N5 Pd
• SMILES: Cc1cc(C)n2Cc3ccc4Cn5c(cc(C)[n]5[Pd]([n]12)(n34)Cl)C
• Title of publication: Mononuclear, helical binuclear palladium and lithium complexes bearing a new pyrrole-based NNN-pincer ligand: fluxional property.
• Authors of publication: Ghorai, Debasish; Kumar, Shanish; Mani, Ganesan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 31
• Pages of publication: 9503 - 9512
• a: 12.811 ± 0.004 Å
• b: 14.946 ± 0.004 Å
• c: 8.938 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1711.4 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No