Information card for entry 7021558

Structure parameters

• Formula: C60 H56 B F20 N2 O2 P3 Ru
• Calculated formula: C60 H56 B F20 N2 O2 P3 Ru
• SMILES: [RuH]12([P](OCC[NH]2CCO[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[N]#CC.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Synthesis and reactivity of ruthenium tridentate bis-phosphinite ligand complexes.
• Authors of publication: Sgro, Michael J.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 29
• Pages of publication: 10460 - 10472
• a: 12.735 ± 0.0006 Å
• b: 14.0486 ± 0.0007 Å
• c: 16.8712 ± 0.0009 Å
• α: 92.955 ± 0.002°
• β: 92.82 ± 0.002°
• γ: 92.267 ± 0.002°
• Cell volume: 3008.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No