Information card for entry 7109516

Structure parameters

• Formula: C66 H87 Br3 Mn3 N6
• Calculated formula: C66 H87 Br3 Mn3 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: 11.9019 ± 0.0004 Å
• b: 15.8453 ± 0.0005 Å
• c: 17.0528 ± 0.0005 Å
• α: 90.492 ± 0.002°
• β: 96.339 ± 0.002°
• γ: 102.919 ± 0.002°
• Cell volume: 3113.57 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0411
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No