Information card for entry 7019876

Structure parameters

• Formula: C18 H25 N5 O3 Pd
• Calculated formula: C18 H23 N5 O3 Pd
• SMILES: c1(C)cc(C)n2Cc3ccc4Cn5c(C)cc(C)[n]5[Pd]([n]12)(n34)OC(=O)C.O
• 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: 9.7596 ± 0.0009 Å
• b: 12.8135 ± 0.0012 Å
• c: 16.6319 ± 0.0015 Å
• α: 78.72 ± 0.003°
• β: 76.803 ± 0.003°
• γ: 84.894 ± 0.003°
• Cell volume: 1983.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No