Information card for entry 4330993

Structure parameters

• Formula: C45 H49 Br2 Cl4 F6 N4 Rh
• Calculated formula: C45 H49 Br2 Cl4 F6 N4 Rh
• SMILES: [Rh]12(Br)(Br)([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C(F)(F)F)C(F)(F)F)c1c(cccc1C(C)C)C(C)C)[NH]=C1c3ccccc3c3ccccc3C1=[NH]2.ClCCl.ClCCl
• Title of publication: Ligand Effects on the Oxidative Addition of Halogens to (dpp-nacnacR)Rh(phdi)
• Authors of publication: David W. Shaffer; Scott A. Ryken; Ryan A. Zarkesh; Alan F. Heyduk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12122 - 12131
• a: 16.4697 ± 0.0005 Å
• b: 13.4993 ± 0.0004 Å
• c: 22.0254 ± 0.0007 Å
• α: 90°
• β: 107.69°
• γ: 90°
• Cell volume: 4665.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0258
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No