Information card for entry 7109515

Structure parameters

• Formula: C47 H70 Cl4 N6
• Calculated formula: C47 H70 Cl4 N6
• Title of publication: Preorganized assembly of three iron(II) or manganese(II) beta-diketiminate complexes using a cyclophane ligand
• Authors of publication: Gary L. Guillet; Forrest T. Sloane; David M. Ermert; Matthew W. Calkins; Marcus K. Peprah; Elisabeth S. Knowles; Erik Cizmar; Khalil A. Abboud; Mark W. Meisel; Leslie J. Murray
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6635
• a: 18.8053 ± 0.0015 Å
• b: 13.8571 ± 0.0011 Å
• c: 18.1615 ± 0.0014 Å
• α: 90°
• β: 105.249 ± 0.002°
• γ: 90°
• Cell volume: 4566 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0456
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No