Information card for entry 4083813

Structure parameters

• Formula: C66 H52 F10 Fe2 N2 Ni O2 P2
• Calculated formula: C66 H52 F10 Fe2 N2 Ni O2 P2
• SMILES: [Ni]([P]([c]12[cH]3[Fe]4567891([c]1(/C=N/c%10c(F)c(F)c(F)c(F)c%10F)[cH]4[cH]5[cH]6[cH]71)[cH]3[cH]8[cH]29)(c1ccccc1)c1ccccc1)([P]([c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]6[cH]7[c]8(/C=N/c2c(F)c(F)c(F)c(F)c2F)[cH]91)(c1ccccc1)c1ccccc1)(C#[O])C#[O].CCCCCC
• Title of publication: Stabilization of Nickel(0) by Hemilabile P,N-Ferrocene Ligands and Their Ethylene Oligomerization Activities
• Authors of publication: Weng, Zhiqiang; Teo, Shihui; Hor, T. S. Andy
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 20
• Pages of publication: 4878
• a: 11.0651 ± 0.0008 Å
• b: 15.21 ± 0.0011 Å
• c: 17.6504 ± 0.0012 Å
• α: 86.609 ± 0.002°
• β: 80.427 ± 0.002°
• γ: 83.41 ± 0.002°
• Cell volume: 2907.4 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No