Information card for entry 1569714

Structure parameters

• Chemical name: Lithium [Ru(II)(1,10-phenanthroline-5,6-semiquinone)3]
• Formula: C45 H39 Li N9 O9 Ru
• Calculated formula: C45 H39 Li N9 O9 Ru
• Title of publication: Modular metallotecton for engineering permanently porous frameworks: supernumerary role of ancillary ion.
• Authors of publication: Gupta, Deepak; Chanteux, Géraldine; Kumar, Gulshan; Robeyns, Koen; Vlad, Alexandru
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 36
• Pages of publication: 9780 - 9786
• a: 13.2103 ± 0.0017 Å
• b: 12.687 ± 0.002 Å
• c: 25.365 ± 0.004 Å
• α: 90°
• β: 99.389 ± 0.014°
• γ: 90°
• Cell volume: 4194.2 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.202
• Residual factor for significantly intense reflections: 0.121
• Weighted residual factors for significantly intense reflections: 0.2421
• Weighted residual factors for all reflections included in the refinement: 0.2834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No