Information card for entry 4077346

Structure parameters

• Formula: C53 H30 Co N O16 P2 Ru5
• Calculated formula: C53 H30 Co N O16 P2 Ru5
• Title of publication: Mass Spectrometric Method for the Rapid Characterization of Transition Metal Carbonyl Cluster Reaction Mixtures
• Authors of publication: Dyson, Paul J.; Hearley, Andrew K.; Johnson, Brian F. G.; Khimyak, Tetyana; McIndoe, J. Scott; Langridge-Smith, Patrick R. R.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 19
• Pages of publication: 3970
• a: 15.165 ± 0.0003 Å
• b: 17.131 ± 0.0002 Å
• c: 20.941 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5440.3 ± 0.15 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No