Information card for entry 4070618

Structure parameters

• Formula: C38 H36 Cl4 N2 Ni2 P2
• Calculated formula: C38 H36 Cl4 N2 Ni2 P2
• SMILES: [n]12ccccc1CC[P]([Ni]12(Cl)[Cl][Ni]2([Cl]1)([n]1ccccc1CC[P]2(c1ccccc1)c1ccccc1)Cl)(c1ccccc1)c1ccccc1
• Title of publication: Mono- and Dinuclear Nickel Complexes with Phosphino-, Phosphinito-, and Phosphonitopyridine Ligands: Synthesis, Structures, and Catalytic Oligomerization of Ethylene
• Authors of publication: Kermagoret, Anthony; Braunstein, Pierre
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 1
• Pages of publication: 88
• a: 20.425 ± 0.0008 Å
• b: 15.508 ± 0.0007 Å
• c: 11.904 ± 0.0006 Å
• α: 90°
• β: 103.913 ± 0.0016°
• γ: 90°
• Cell volume: 3660 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.148
• Residual factor for significantly intense reflections: 0.0963
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No