Information card for entry 2311470

Structure parameters

• Chemical name: [μ~2~-Bis(diphenylphosphanyl)hexane]bis[undecacarbonyl-<i>triangulo</i>-triruthenium(3 <i>Ru</i>—<i>Ru</i>)] hexane monosolvate
• Formula: C58 H46 O22 P2 Ru6
• Calculated formula: C58 H46 O22 P2 Ru6
• Title of publication: [μ₂-Bis(di-phenyl-phosphan-yl)hexa-ne]bis-[undeca-carbonyl-<i>triangulo</i>-triruthenium(3 <i>Ru</i>-<i>Ru</i>)] hexane monosolvate: crystal structure and Hirshfeld surface analysis.
• Authors of publication: Shawkataly, Omar Bin; Sirat, Siti Syaida; Jotani, Mukesh M.; Tiekink, Edward R. T.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 11
• Pages of publication: 1652 - 1657
• a: 14.5323 ± 0.0004 Å
• b: 23.3731 ± 0.0006 Å
• c: 19.1883 ± 0.0004 Å
• α: 90°
• β: 93.653 ± 0.001°
• γ: 90°
• Cell volume: 6504.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No