Information card for entry 7015917

Structure parameters

• Formula: C18 H13 Cl2 N4 O Rh
• Calculated formula: C18 H13 Cl2 N4 O Rh
• SMILES: c12c3cccc2N=[N]([Rh]1([OH2])(Cl)([N](c1ccccc1)=N3)Cl)c1ccccc1
• 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: 19.488 ± 0.005 Å
• b: 12.271 ± 0.002 Å
• c: 7.963 ± 0.0016 Å
• α: 90°
• β: 106.575 ± 0.016°
• γ: 90°
• Cell volume: 1825.1 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1153
• Residual factor for significantly intense reflections: 0.1045
• Weighted residual factors for significantly intense reflections: 0.2953
• Weighted residual factors for all reflections included in the refinement: 0.3063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No