Information card for entry 4068217

Structure parameters

• Formula: C63 H39 Cl F12 N10 P2 Ru2
• Calculated formula: C63 H39 Cl F12 N10 P2 Ru2
• Title of publication: Rhenium Complexes of 2,3-Di(2-pyridyl)-5,6-diphenylpyrazine: Synthesis, Characterization, and Reactivity
• Authors of publication: Wu, Si-Hai; Abruña, Héctor D.; Zhong, Yu-Wu
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 1161
• a: 14.005 ± 0.003 Å
• b: 27.949 ± 0.006 Å
• c: 15.408 ± 0.003 Å
• α: 90°
• β: 100.45 ± 0.03°
• γ: 90°
• Cell volume: 5931 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1394
• Residual factor for significantly intense reflections: 0.1167
• Weighted residual factors for significantly intense reflections: 0.2332
• Weighted residual factors for all reflections included in the refinement: 0.2476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No