Information card for entry 7125812

Structure parameters

• Formula: C67 H18 F15 N6 O4 Rh2
• Calculated formula: C67 H18.68 F15 N6 O4 Rh2
• Title of publication: A robust bis-rhodium(i) complex of π-extended planar, anti-aromatic hexaphyrin[1.0.1.0.1.0].
• Authors of publication: Samala, Srinivas; Dutta, Ranjan; He, Qing; Park, Yeonju; Chandra, Brijesh; Lynch, Vincent M.; Jung, Young Mee; Sessler, Jonathan L.; Lee, Chang-Hee
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 758 - 761
• a: 10.5064 ± 0.0002 Å
• b: 13.7489 ± 0.0002 Å
• c: 36.4349 ± 0.0008 Å
• α: 90°
• β: 97.87 ± 0.002°
• γ: 90°
• Cell volume: 5213.5 ± 0.17 ų
• Cell temperature: 99.9 ± 0.3 K
• Ambient diffraction temperature: 99.9 ± 0.3 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1035
• Residual factor for significantly intense reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.2224
• Weighted residual factors for all reflections included in the refinement: 0.2295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No