Information card for entry 7119499

Structure parameters

• Formula: C41 H43 Cu4 N15 O8
• Calculated formula: C41 H43 Cu4 N15 O8
• SMILES: [Cu]12([OH]3[Cu]456([Cu]783([OH]4[Cu]([n]3n6c(CCc4[n]5n1cc4)cc3)(n1[n]7c(cc1)CCc1n8[n]2cc1)[n]1ccccc1)[n]1ccccc1)[n]1ccccc1)[n]1ccccc1.O=N(=O)[O-].O=N(=O)[O-].n1ccccc1
• 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: 11.0383 ± 0.0002 Å
• b: 19.3794 ± 0.0005 Å
• c: 25.1577 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5381.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No