Information card for entry 7119497

Structure parameters

• Formula: C48 H69 Cu4 N17 O
• Calculated formula: C48 H68 Cu4 N17 O
• Title of publication: Accessing the inaccessible: discrete multinuclear coordination complexes and selective anion binding attainable only by tethering ligands together.
• Authors of publication: Ahmed, Basil M.; Mezei, Gellert
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 1029 - 1032
• a: 19.405 ± 0.0006 Å
• b: 13.4239 ± 0.0004 Å
• c: 19.5853 ± 0.0006 Å
• α: 90°
• β: 94.268 ± 0.002°
• γ: 90°
• Cell volume: 5087.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1004
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No