Information card for entry 7121571

Structure parameters

• Formula: C38 H48 Cl4 Cu2 N8 O2
• Calculated formula: C38 H48 Cl4 Cu2 N8 O2
• Title of publication: Supramolecular solvatochromism: mechanistic insight from crystallography, spectroscopy and theory.
• Authors of publication: Nikolayenko, Varvara I.; van Wyk, Lisa M.; Munro, Orde Q.; Barbour, Leonard J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 51
• Pages of publication: 6975 - 6978
• a: 8.755 ± 0.0007 Å
• b: 13.3722 ± 0.0011 Å
• c: 17.687 ± 0.0013 Å
• α: 90°
• β: 95.982 ± 0.003°
• γ: 90°
• Cell volume: 2059.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1878
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.2149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No