Information card for entry 4063792

Structure parameters

• Common name: IIIA0231_2
• Chemical name: IIIA0231_2
• Formula: C112 H86 B2 F48 P2 Rh2
• Calculated formula: C112 H86 B2 F48 P2 Rh2
• SMILES: [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.C1(CCCCC1)[P]1(C2CCCCC2)c2ccccc2[c]23[Rh]456781[cH]1[cH]9[c]%10%11c%12c([P](C%13CCCCC%13)(C%13CCCCC%13)[Rh]%13%1489%11([cH]([cH]26)[cH]%13[cH]%14[cH]37)[cH]%10[cH]5[cH]41)cccc%12.[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: Synthesis, Characterization, and Reactivity of Arene-Stabilized Rhodium Complexes
• Authors of publication: O’Connor, Abby R.; Kaminsky, Werner; Heinekey, D. Michael; Goldberg, Karen I.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2105
• a: 12.3548 ± 0.0007 Å
• b: 16.0451 ± 0.001 Å
• c: 16.3743 ± 0.0016 Å
• α: 114.01 ± 0.005°
• β: 99.427 ± 0.005°
• γ: 103.365 ± 0.003°
• Cell volume: 2760.7 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No