Information card for entry 7112860

Structure parameters

• Formula: C40 H44 N4
• Calculated formula: C40 H44 N4
• Title of publication: "Nindigo": synthesis, coordination chemistry, and properties of indigo diimines as a new class of functional bridging ligands.
• Authors of publication: Oakley, Simon R.; Nawn, Graeme; Waldie, Kate M.; MacInnis, Timothy D.; Patrick, Brian O.; Hicks, Robin G.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 36
• Pages of publication: 6753 - 6755
• a: 8.6517 ± 0.0013 Å
• b: 9.4002 ± 0.0013 Å
• c: 20.764 ± 0.003 Å
• α: 90°
• β: 100.81 ± 0.008°
• γ: 90°
• Cell volume: 1658.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.069
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No