Information card for entry 1569713

Structure parameters

• Chemical name: [Ru(5-oxido-6-hydroxy-1,10-phenanthroline)(5,6-dihydroxy1,10-phenanthroline)2] chloride
• Formula: C36 H23 Cl N6 O12 Ru
• Calculated formula: C36 H23.0001 Cl N6 O12 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: 16.0468 ± 0.0004 Å
• b: 16.0468 ± 0.0004 Å
• c: 9.8253 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2191.06 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No