Information card for entry 7015715

Structure parameters

• Formula: C34 H48 N2 O2 Zn
• Calculated formula: C34 H48 N2 O2 Zn
• SMILES: [Zn]12(OC(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)OC(=CC(=[N]2c1c(cccc1C(C)C)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: 9.9587 ± 0.0001 Å
• b: 10.9893 ± 0.0001 Å
• c: 16.4658 ± 0.0001 Å
• α: 84.78°
• β: 76.17°
• γ: 65.85°
• Cell volume: 1596.57 ± 0.02 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No