Information card for entry 4343301

Structure parameters

• Formula: C70 H58 B Cl2 F24 N2 O2 Rh
• Calculated formula: C70 H58 B Cl2 F24 N2 O2 Rh
• SMILES: [Rh]12345([n]6c(N(c7c(cccc7C(C)C)C(C)C)C5=O)cccc6c5c(cccc5C)C)([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)C#[O].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.ClCCl
• 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: 20.5077 ± 0.0013 Å
• b: 17.9263 ± 0.0011 Å
• c: 21.4755 ± 0.0012 Å
• α: 90°
• β: 115.747 ± 0.001°
• γ: 90°
• Cell volume: 7111.2 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.124
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.2053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No