Information card for entry 2004943

Structure parameters

• Chemical name: Tris(1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane)ruthenium(II) bis(hexafluorophosphate) dihydrate methanol solvate
• Formula: C37 H80 F12 O15 P2 Ru S6
• Calculated formula: C36.99 H79.94 F12 O14.98 P2 Ru S6
• Title of publication: Tris(1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane-<i>S</i>,<i>S</i>')ruthenium(II) Bis(hexafluorophosphate)‒Water‒Methanol (1/2/1)
• Authors of publication: Blake, A. J.; Radek, C.; Schröder, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1401 - 1403
• a: 18.629 ± 0.002 Å
• b: 18.629 ± 0.002 Å
• c: 29.863 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8975 ± 2 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections: 0.1275
• Weighted residual factors for significantly intense reflections: 0.1002
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for significantly intense reflections: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No