Information card for entry 7040287

Structure parameters

• Formula: C44 H50 N4 O3
• Calculated formula: C44 H50 N4 O3
• Title of publication: Solid state π-π stacking and higher order dimensional crystal packing, reactivity, and electrochemical behaviour of salphenazine actinide and transition metal complexes.
• Authors of publication: Hardy, E. E.; Eddy, M. A.; Maynard, B. A.; Gorden, A. E. V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 36
• Pages of publication: 14243 - 14251
• a: 6.2424 ± 0.0002 Å
• b: 22.8992 ± 0.0007 Å
• c: 27.3834 ± 0.0008 Å
• α: 90°
• β: 94.704 ± 0.001°
• γ: 90°
• Cell volume: 3901.2 ± 0.2 ų
• Cell temperature: 180.45 K
• Ambient diffraction temperature: 180.45 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: 0.0698
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0674
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No