Information card for entry 4072996

Structure parameters

• Formula: C93 H156 B2 Cl14 F8 P4 Ru2
• Calculated formula: C93 H156 B2 Cl14 F8 P4 Ru2
• SMILES: [Ru](Cl)(Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)#Cc1ccc(cc1)C.ClCCl.ClCCl.ClCCl.[B](F)(F)(F)[F-]
• Title of publication: Synthesis, Structure, and Reactivity of Four-, Five-, and Six-Coordinate Ruthenium Carbyne Complexes
• Authors of publication: Caskey, Stephen R.; Stewart, Michael H.; Ahn, Yi Joon; Johnson, Marc J. A.; Rowsell, Jesse L. C.; Kampf, Jeff W.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 8
• Pages of publication: 1912
• a: 11.626 ± 0.004 Å
• b: 32.847 ± 0.012 Å
• c: 28.253 ± 0.01 Å
• α: 90°
• β: 99.152 ± 0.006°
• γ: 90°
• Cell volume: 10652 ± 7 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No