Information card for entry 7043491

Structure parameters

• Formula: C100 H124 Mg2 N4 O14
• Calculated formula: C100 H124 Mg2 N4 O14
• Title of publication: Electrochemical and Structural Investigation of the Interactions between Naphthalene Diimides and Metal Cations
• Authors of publication: Reiner, Benjamin R.; Foxman, Bruce M.; Wade, Casey R.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 21.5029 ± 0.0015 Å
• b: 19.1115 ± 0.0014 Å
• c: 27.069 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11124.1 ± 1.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1471
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections: 0.2899
• Weighted residual factors for significantly intense reflections: 0.2307
• Weighted residual factors for all reflections included in the refinement: 0.2899
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9786
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No