Information card for entry 7019877

Structure parameters

• Formula: C35.5 H44 Li2 N10
• Calculated formula: C32 H40 Li2 N10
• SMILES: [Li]123[n]4n(c(cc4C)C)Cc4[n]15c(cc4)Cn1c(C)cc(C)[n]1[Li]15[n]4n(c(cc4C)C)Cc4[n]12c(cc4)Cn1c(C)cc(C)[n]13
• 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: 19.371 ± 0.002 Å
• b: 11.72 ± 0.0014 Å
• c: 17.301 ± 0.002 Å
• α: 90°
• β: 97.893 ± 0.004°
• γ: 90°
• Cell volume: 3890.6 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No