Information card for entry 4135573

Structure parameters

• Formula: C276 H224 F60 Ir2 N32 O4 P10 Zn4
• Calculated formula: C276 H224 F60 Ir2 N32 O4 P10 Zn4
• Title of publication: A Chiral Cyclometalated Iridium Star of David [2]Catenane.
• Authors of publication: August, David P.; Jaramillo-Garcia, Javier; Leigh, David A.; Valero, Alberto; Vitorica-Yrezabal, Iñigo J
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2021
• Journal volume: 143
• Journal issue: 2
• Pages of publication: 1154 - 1161
• a: 23.1012 ± 0.0015 Å
• b: 27.4445 ± 0.0015 Å
• c: 27.498 ± 0.0014 Å
• α: 104.285 ± 0.005°
• β: 106.658 ± 0.005°
• γ: 107.91 ± 0.005°
• Cell volume: 14781.4 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1994
• Residual factor for significantly intense reflections: 0.1498
• Weighted residual factors for significantly intense reflections: 0.3489
• Weighted residual factors for all reflections included in the refinement: 0.3738
• Goodness-of-fit parameter for all reflections included in the refinement: 2.19
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No