Information card for entry 4077596

Structure parameters

• Formula: C36 H39 I N2 O4 P Rh
• Calculated formula: C37 H39 I N2 O3 P Rh
• SMILES: [Rh]12(I)([P](c3ccccc3C=[N]2N=C(O1)c1ccccc1)(c1ccccc1)c1ccccc1)([O]1CCCC1)C(=O)C.C1CCCC1
• Title of publication: Synthesis, Characterization, and Reactivity toward MeI of Carbonyl Rh(I) Complexes Containing a PNO Hydrazonic Ligand
• Authors of publication: Pelagatti, Paolo; Bacchi, Alessia; Bobbio, Carla; Carcelli, Mauro; Costa, Mirco; Pelizzi, Corrado; Vivorio, Cristiano
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 25
• Pages of publication: 5440
• a: 9.746 ± 0.004 Å
• b: 9.576 ± 0.004 Å
• c: 37.366 ± 0.009 Å
• α: 90°
• β: 92.98 ± 0.02°
• γ: 90°
• Cell volume: 3483 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1147
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No