Information card for entry 4074861

Structure parameters

• Formula: C37 H55 N Ni P2
• Calculated formula: C37 H52 N Ni P2
• SMILES: C1CC([P]2(C3CCCCC3)[Ni]3(C)N(c4ccccc24)c2ccccc2[P]3(C2CCCCC2)C2CCCCC2)CCC1
• Title of publication: Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity
• Authors of publication: Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 6
• Pages of publication: 1399 - 1411
• a: 18.285 ± 0.0005 Å
• b: 18.285 ± 0.0005 Å
• c: 10.402 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3477.8 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P n c a
• Hall space group symbol: -P 2a 2n
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1931
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No