Information card for entry 7120683

Structure parameters

• Common name: 1
• Formula: C36 H46 Cl4 Cu2 N8 O2
• Calculated formula: C36 H46 Cl4 Cu2 N8 O2
• Title of publication: Threading the needle: guest transport in a versatile 0D porous molecular crystal
• Authors of publication: Nikolayenko, Varvara I.; Heyns, Anneli; Barbour, Len
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 8.4261 ± 0.001 Å
• b: 10.7068 ± 0.0013 Å
• c: 21.974 ± 0.003 Å
• α: 90°
• β: 99.441 ± 0.002°
• γ: 90°
• Cell volume: 1955.6 ± 0.4 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: 0.0749
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No