Information card for entry 4343297

Structure parameters

• Formula: C63 H48 B F24 N2 Rh
• Calculated formula: C63 H48 B F24 N2 Rh
• SMILES: [Rh]12345(N(c6[n]1c(ccc6)c1c(cccc1C)C)c1c(cccc1C)C)[c]1([c]2([c]5([c]4([c]31C)C)C)C)C.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[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
• Title of publication: Synthesis and Reactivity toward H2 of (η(5)-C5Me5)Rh(III) Complexes with Bulky Aminopyridinate Ligands.
• Authors of publication: Zamorano, Ana; Rendón, Nuria; Valpuesta, José E V; Álvarez, Eleuterio; Carmona, Ernesto
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6573 - 6581
• a: 22.0183 ± 0.001 Å
• b: 12.7548 ± 0.001 Å
• c: 22.0821 ± 0.0013 Å
• α: 90°
• β: 99.187 ± 0.002°
• γ: 90°
• Cell volume: 6122 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No