Information card for entry 4064147

Structure parameters

• Formula: C33 H35 F6 N3 O P Rh
• Calculated formula: C33 H35 F6 N3 O P Rh
• SMILES: [Rh]12345([CH]6=[CH]1c1c([CH]2=[CH]3c2c6cccc2)cccc1)[n]1c(cccc1C)C[NH]5Cc1cccc(C)[n]41.[P](F)(F)(F)(F)(F)[F-].C(=O)(C)C
• Title of publication: Open-Shell Organometallic [MII(dbcot(bislutidylamine)]2+Complexes (M = Rh, Ir): Unexpected Base-Assisted Reduction of the Metal Instead of Amine Ligand Deprotonation
• Authors of publication: Dzik, Wojciech I.; Fuente Arruga, Luis; Siegler, Maxime A.; Spek, Anthony L.; Reek, Joost N. H.; de Bruin, Bas
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 7
• Pages of publication: 1902
• a: 28.5187 ± 0.0008 Å
• b: 11.2036 ± 0.0003 Å
• c: 19.4833 ± 0.0004 Å
• α: 90°
• β: 101.351 ± 0.001°
• γ: 90°
• Cell volume: 6103.4 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No