Information card for entry 7120685

Structure parameters

• Common name: 3
• Formula: C37.06 H46.12 Cl4 Cu2 N8 O1.02
• Calculated formula: C37.06 H46.12 Cl4 Cu2 N8 O1.02
• 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: 8.386 ± 0.003 Å
• b: 10.778 ± 0.004 Å
• c: 22.282 ± 0.008 Å
• α: 90°
• β: 99.205 ± 0.004°
• γ: 90°
• Cell volume: 1988 ± 1.2 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: 0.1471
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No