Information card for entry 7702229

Structure parameters

• Formula: C40 H38 Fe O2 P2 Ru S4
• Calculated formula: C40 H38 Fe O2 P2 Ru S4
• Title of publication: Synthesis, characterization, and catalytic evaluation of ruthenium-diphosphine complexes bearing xanthate ligands.
• Authors of publication: Zain Aldin, Mohammed; Maho, Anthony; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 39
• Pages of publication: 13926 - 13938
• a: 19.13 ± 0.0009 Å
• b: 9.7269 ± 0.0003 Å
• c: 22.0104 ± 0.001 Å
• α: 90°
• β: 115.313 ± 0.002°
• γ: 90°
• Cell volume: 3702.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No