Information card for entry 4073170

Structure parameters

• Formula: C65 H54 Cl3 F10 Fe2 N2 Ni2 P2
• Calculated formula: C65 H54 Cl3 F10 Fe2 N2 Ni2 P2
• SMILES: [Ni]12([N]3[Ni]4(Cl)[P]([c]56[Fe]789%10%11%12%13([c]%14(C43c3c(F)c(F)c(F)c(F)c3F)[cH]8[cH]9[cH]%10[cH]%11%14)[cH]6[cH]%12[cH]%13[cH]57)(c3ccccc3)c3ccccc3)[P]([c]34[Fe]56789%10%11([c]%12([cH]8[cH]7[cH]6[cH]5%12)C2N1c1c(F)c(F)c(F)c(F)c1F)[cH]3[cH]9[cH]%10[cH]4%11)(c1ccccc1)c1ccccc1.C(Cl)Cl.CCCCCC
• Title of publication: A Strange Nickel(I)−Nickel(0) Binuclear Complex and Its Unexpected Ethylene Oligomerization
• Authors of publication: Weng, Zhiqiang; Teo, Shihui; Liu, Zhi-Pan; Hor, T. S. Andy
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 12
• Pages of publication: 2950
• a: 12.867 ± 0.002 Å
• b: 14.027 ± 0.002 Å
• c: 17.8 ± 0.003 Å
• α: 100.472 ± 0.003°
• β: 106.307 ± 0.003°
• γ: 90.936 ± 0.004°
• Cell volume: 3024.3 ± 0.8 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: 0.133
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No