Information card for entry 7107023

Structure parameters

• Common name: Dilithium (tetrakis(3,5- bis(trifluoromethyl)pyrazolato))rhodium(ii) di-tetrahydrofuran disolvate
• Formula: C28 H20 F24 Li2 N8 O2 Rh
• Calculated formula: C28 H20 F24 Li2 N8 O2 Rh
• SMILES: C(c1cc(C(F)(F)F)[n]2n1[Rh](n1c(C(F)(F)F)cc(C(F)(F)F)[n]1[Li]2[O]1CCCC1)(n1c(cc(C(F)(F)F)[n]12)C(F)(F)F)n1c(cc(C(F)(F)F)[n]1[Li]2[O]1CCCC1)C(F)(F)F)(F)(F)F
• Title of publication: Synthesis, structure and DFT study of a pyrazolate stabilized mononuclear Rh(II) complex
• Authors of publication: W. Jeffrey McCarty; Xiaoping Yang; Richard A. Jones
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 12164
• a: 11.439 ± 0.002 Å
• b: 9.2437 ± 0.0018 Å
• c: 19.437 ± 0.004 Å
• α: 90°
• β: 106.65 ± 0.03°
• γ: 90°
• Cell volume: 1969.1 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0461
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No