Information card for entry 1513015

Structure parameters

• Formula: C48 H42 N3 O4 P2 Ru S
• Calculated formula: C48 H42 N3 O4 P2 Ru S
• Title of publication: A closer look at the formation of bicyclometalated and cyclometalated ruthenium carbonyl complexes
• Authors of publication: Soumik Mandal; Dipravath K. Seth; Parna Gupta
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 397
• Pages of publication: 10 - 20
• a: 12.667 ± 0.0009 Å
• b: 12.937 ± 0.0009 Å
• c: 13.4361 ± 0.001 Å
• α: 89.007 ± 0.004°
• β: 68.689 ± 0.004°
• γ: 80.316 ± 0.004°
• Cell volume: 2019.7 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.289
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No