Information card for entry 7004004

Structure parameters

• Formula: C36.5 H35 Cl7 Fe3 N4 O P2
• Calculated formula: C36.5 H35 Cl7 Fe3 N4 O P2
• Title of publication: Nickel and iron complexes with N,P,N-type ligands: synthesis, structure and catalytic oligomerization of ethylene
• Authors of publication: Kermagoret, Anthony; Tomicki, Falk; Braunstein, Pierre
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 22
• Pages of publication: 2945 - 2955
• a: 12.601 ± 0.0003 Å
• b: 16.671 ± 0.0005 Å
• c: 20.317 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4268 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1464
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No