Information card for entry 7121574

Structure parameters

• Common name: 6
• Formula: C36.99 H47.97 Cl4 Cu2 N8
• Calculated formula: C36.99 H47.976 Cl4 Cu2 N8
• 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: 8.499 ± 0.004 Å
• b: 13.247 ± 0.006 Å
• c: 18.335 ± 0.008 Å
• α: 90°
• β: 95.452 ± 0.009°
• γ: 90°
• Cell volume: 2054.9 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0766
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No