Information card for entry 7015714

Structure parameters

• Formula: C34 H48 Fe N2 O2
• Calculated formula: C34 H48 Fe N2 O2
• SMILES: CC1=CC(C)=[N](c2c(cccc2C(C)C)C(C)C)[Fe]2(O1)[N](=C(C=C(C)O2)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and Characterization of Sterically Encumbered β-Ketoiminate Complexes of Iron(ii) and Zinc(ii).
• Authors of publication: Granum, David M.; Riedel, Paul J.; Crawford, Joshua A.; Mahle, Thomas K.; Wyss, Chelsea M.; Begej, Anastasia K.; Arulsamy, Navamoney; Pierce, Brad S.; Mehn, Mark P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 22
• Pages of publication: 5881 - 5890
• a: 23.7223 ± 0.0002 Å
• b: 12.069 ± 0.0001 Å
• c: 11.7799 ± 0.0001 Å
• α: 90°
• β: 107.93°
• γ: 90°
• Cell volume: 3208.84 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0537
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No