Information card for entry 7121569

Structure parameters

• Common name: 5_343K
• Formula: C35.78 H45.44 Cl4 Cu2 N8 O0.47
• Calculated formula: C35.776 H45.44 Cl4 Cu2 N8 O0.472
• 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: 8.6706 ± 0.0008 Å
• b: 13.3945 ± 0.0012 Å
• c: 18.2327 ± 0.0017 Å
• α: 90°
• β: 95.236 ± 0.003°
• γ: 90°
• Cell volume: 2108.7 ± 0.3 ų
• Cell temperature: 343 ± 2 K
• Ambient diffraction temperature: 343 ± 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: 0.2449
• Residual factor for significantly intense reflections: 0.1067
• Weighted residual factors for significantly intense reflections: 0.2085
• Weighted residual factors for all reflections included in the refinement: 0.2767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No