Information card for entry 2023212

Structure parameters

• Chemical name: Ben Tickner BJT004
• Formula: C141.78 H168.72 Cl8 Cu20 Ir6 N18 O3.18
• Calculated formula: C141.18 H168.72 Cl8 Cu20 Ir6 N18 O3.18
• Title of publication: Pyrazine-bridged polymetallic copper–iridium clusters
• Authors of publication: Tickner, Ben. J.; Gammons, Richard; Whitwood, Adrian C.; Duckett, Simon B.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 8
• a: 12.5708 ± 0.0003 Å
• b: 14.8757 ± 0.0005 Å
• c: 23.1383 ± 0.0007 Å
• α: 84.392 ± 0.003°
• β: 82.291 ± 0.002°
• γ: 85.686 ± 0.002°
• Cell volume: 4258.7 ± 0.2 ų
• Cell temperature: 110.5 ± 0.8 K
• Ambient diffraction temperature: 110.5 ± 0.8 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No