Information card for entry 4079319

Structure parameters

• Formula: C15 H24 B Cl2 F4 N3 Ru
• Calculated formula: C15 H24 B Cl2 F4 N3 Ru
• SMILES: [B](F)(F)(F)[F-].C1(N(C)[N+](C)=CN1C)=[Ru]12345([c]6(C)[cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)(Cl)Cl
• Title of publication: Heterobimetallic Iridium‒Ruthenium Assemblies through an Ambidentate Triazole-Diylidene Ligand: Electrochemical Properties and Catalytic Behavior in a Cascade Reaction
• Authors of publication: Sabater, Sara; Mata, Jose A.; Peris, Eduardo
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 6450
• a: 8.7587 ± 0.001 Å
• b: 20.7199 ± 0.0019 Å
• c: 11.3341 ± 0.0015 Å
• α: 90°
• β: 106.939 ± 0.013°
• γ: 90°
• Cell volume: 1967.7 ± 0.4 ų
• Cell temperature: 150.05 ± 0.1 K
• Ambient diffraction temperature: 150.05 ± 0.1 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: 0.0616
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No