Information card for entry 4343296

Structure parameters

• Formula: C31.5 H37 Cl2 N2 Rh
• Calculated formula: C31.5 H37 Cl2 N2 Rh
• SMILES: [Rh]13456(Cl)(N(c7[n]1c(ccc7)c1c(cccc1C)C)c1c(cccc1C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.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: 9.6544 ± 0.0005 Å
• b: 16.1312 ± 0.0009 Å
• c: 18.5241 ± 0.001 Å
• α: 89.276 ± 0.002°
• β: 86.076 ± 0.002°
• γ: 89.16 ± 0.002°
• Cell volume: 2877.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No