Information card for entry 7034211

Structure parameters

• Formula: C74 H96 Li2 N10
• Calculated formula: C74 H96 Li2 N10
• SMILES: CC(C)c1cccc(c1/N=C/c1ccc(C[N]2(C)CC3=CC=C4C=[N](c5c(C(C)C)cccc5C(C)C)[Li]56[N](c7c(C(C)C)cccc7C(C)C)=CC7=CC=C8C[N](C)(Cc9ccc(/C=N/c%10c(C(C)C)cccc%10C(C)C)[nH]9)[Li]2([N]346)[N]578)[nH]1)C(C)C
• Title of publication: Exhibition of the Brønsted acid-base character of a Schiff base in palladium(ii) complex formation: lithium complexation, fluxional properties and catalysis of Suzuki reactions in water.
• Authors of publication: Kumar, Rajnish; Mani, Ganesan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 15
• Pages of publication: 6896 - 6908
• a: 10.0134 ± 0.001 Å
• b: 18.34 ± 0.0019 Å
• c: 36.98 ± 0.004 Å
• α: 90°
• β: 94.521 ± 0.003°
• γ: 90°
• Cell volume: 6770.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1417
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.2096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No