Information card for entry 8104950

Structure parameters

• Formula: C25.71 H32.57 N9.86 O15 P3 Ru3 S3
• Calculated formula: C25.7143 H32.5714 N9.85714 O15 P3 Ru3 S3
• Title of publication: Synthesis and crystal structure of nonacarbonyltris[(2-thia-1,3,5-triaza-7-phosphatricylco[3.3.1.1]decane-κ1 P)-2,2-dioxide]triruthenium(0) – acetonitrile (7/6), C25.71H32.57N9.86O15P3S3Ru3
• Authors of publication: Ebong, Wisdom; Muniz, Alexandra E.; Khan, David R.; Unruh, Daniel K.; Yarbrough, Jason C.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 1
• Pages of publication: 17 - 21
• a: 37.24213 ± 0.00009 Å
• b: 37.24213 ± 0.00009 Å
• c: 11.64828 ± 0.00003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13991.4 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No