Information card for entry 7121573

Structure parameters

• Common name: 5_100K
• Formula: C35.52 H44.8 Cl4 Cu2 N8 O0.88
• Calculated formula: C35.52 H44.8 Cl4 Cu2 N8 O0.88
• 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: 8.5758 ± 0.0004 Å
• b: 13.295 ± 0.0006 Å
• c: 17.9793 ± 0.0008 Å
• α: 90°
• β: 95.182 ± 0.002°
• γ: 90°
• Cell volume: 2041.54 ± 0.16 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 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: 0.1096
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No