Information card for entry 7248435

Structure parameters

• Formula: C70 H70 Ir2 O5 P2 Se2
• Calculated formula: C70 H70 Ir2 O5 P2 Se2
• Title of publication: Selenosalicylate; a little-studied heavy-element analogue of the versatile thiosalicylate ligand
• Authors of publication: Atiga, Simeon; Saunders, Graham C.; Henderson, William
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 12323 - 12336
• a: 8.6583 ± 0.0003 Å
• b: 18.2265 ± 0.0006 Å
• c: 19.3876 ± 0.0006 Å
• α: 86.012 ± 0.003°
• β: 86.316 ± 0.002°
• γ: 82.18 ± 0.003°
• Cell volume: 3019.12 ± 0.17 ų
• Cell temperature: 99.9 ± 0.5 K
• Ambient diffraction temperature: 99.9 ± 0.5 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0508
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No