Information card for entry 7006779

Structure parameters

• Formula: C43 H53 Fe N2
• Calculated formula: C43 H53 Fe N2
• SMILES: [Fe]12(N(c3c(cccc3C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)[CH2]=[C]2(c1ccccc1)c1ccccc1
• Title of publication: P-H and P-P bond activation by Ni(I) and Fe(I) beta-diketiminato-complexes.
• Authors of publication: Bai, Guangcai; Wei, Pingrong; Das, Anjan K.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 9
• Pages of publication: 1141 - 1146
• a: 11.97 ± 0.004 Å
• b: 22.83 ± 0.008 Å
• c: 13.765 ± 0.005 Å
• α: 90°
• β: 97.209 ± 0.009°
• γ: 90°
• Cell volume: 3732 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No