Information card for entry 7017691

Structure parameters

• Formula: C44 H48 Li2 N4 P2
• Calculated formula: C44 H48 Li2 N4 P2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)c2ccccc2N2CC[N](C)(C)[Li]2[N]2(c3c(cccc3)P(c3ccccc3)c3ccccc3)[Li]1[N](CC2)(C)C
• Title of publication: Nickel complexes incorporating an amido phosphine chelate with a pendant amine arm: synthesis, structure, and catalytic Kumada coupling.
• Authors of publication: Liang, Lan-Chang; Lee, Wei-Ying; Hung, Yu-Ting; Hsiao, Yi-Chen; Cheng, Liang-Chien; Chen, Wei-Chen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 4
• Pages of publication: 1381 - 1388
• a: 16.1085 ± 0.0004 Å
• b: 14.125 ± 0.0005 Å
• c: 18.6374 ± 0.0006 Å
• α: 90°
• β: 109.369 ± 0.001°
• γ: 90°
• Cell volume: 4000.6 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0671
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 0.629
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No