Information card for entry 4066507

Structure parameters

• Chemical name: Compound 8
• Formula: C74 H96 B2 F24 N P2 Rh
• Calculated formula: C74 H96 B2 F24 N P2 Rh
• SMILES: [Rh]1([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)[H]B([H]1)N(C(C)C)C(C)C.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Ruthenium, Rhodium, and Iridium Bis(σ-B−H) Diisopropylaminoborane Complexes†
• Authors of publication: Alcaraz, Gilles; Chaplin, Adrian B.; Stevens, Charlotte J.; Clot, Eric; Vendier, Laure; Weller, Andrew S.; Sabo-Etienne, Sylviane
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5591
• a: 14.2096 ± 0.0001 Å
• b: 36.9918 ± 0.0003 Å
• c: 14.801 ± 0.0001 Å
• α: 90°
• β: 94.9072 ± 0.0004°
• γ: 90°
• Cell volume: 7751.46 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0647
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No