Information card for entry 7015916

Structure parameters

• Formula: C25 H18 Cl2 N5 O0 Rh
• Calculated formula: C25 H18 Cl2 N5 Rh
• SMILES: [Rh]12(Cl)(Cl)([N](=Nc3c2c(N=[N]1c1ccccc1)ccc3)c1ccccc1)[N]#Cc1ccccc1
• Title of publication: Formation of organorhodium complexes via C-H bond activation of 1,3-di(phenylazo)benzene.
• Authors of publication: Majumder, Paramita; Baksi, Suparna; Halder, Sarmistha; Tadesse, Haregewine; Blake, Alexander J.; Drew, Michael G. B.; Bhattacharya, Samaresh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 20
• Pages of publication: 5423 - 5425
• a: 11.2704 ± 0.0002 Å
• b: 13.3655 ± 0.0002 Å
• c: 15.7056 ± 0.0002 Å
• α: 90°
• β: 90.1 ± 0.001°
• γ: 90°
• Cell volume: 2365.8 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No