Information card for entry 7120721

Structure parameters

• Common name: Cubx_phcnssn_298k
• Formula: C34 H40 Cl4 Cu2 N8
• Calculated formula: C34 H40 Cl4 Cu2 N8
• Title of publication: Inclusion of a dithiadiazolyl radical in a seemingly non-porous solid
• Authors of publication: Nikolayenko, Varvara I.; Barbour, Leonard J.; Arauzo, Ana; Campo, Javier; Rawson, Jeremy M.; Haynes, Delia A.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 8.3927 ± 0.0005 Å
• b: 10.8318 ± 0.0006 Å
• c: 22.4675 ± 0.0012 Å
• α: 90°
• β: 99.103 ± 0.002°
• γ: 90°
• Cell volume: 2016.8 ± 0.2 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: 0.239
• Residual factor for significantly intense reflections: 0.2085
• Weighted residual factors for significantly intense reflections: 0.3781
• Weighted residual factors for all reflections included in the refinement: 0.3906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.308
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No