Information card for entry 4088020

Structure parameters

• Formula: C28 H45 B10 D6 I N O2 P2 Rh
• Calculated formula: C28 H45 B10 D6 I N O2 P2 Rh
• SMILES: I[RhH]12([P](O[C]3456[B]7892[C]2%10%11(O[P]1(C(C)C)C(C)C)[B]137(c3ccccc3)[BH]376[BH]6%125[BH]549[BH]482[BH]28%10[BH]654[BH]7%128[BH]%11132)(C(C)C)C(C)C)[N]#CC.c1([2H])c([2H])c([2H])c([2H])c([2H])c1[2H]
• Title of publication: Metal- and Ligand-Centered Reactivity of meta-Carboranyl-Backbone Pincer Complexes of Rhodium
• Authors of publication: Eleazer, Bennett J.; Smith, Mark D.; Peryshkov, Dmitry V.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 2
• Pages of publication: 106
• a: 10.6949 ± 0.0005 Å
• b: 11.3884 ± 0.0006 Å
• c: 16.3856 ± 0.0008 Å
• α: 76.18 ± 0.002°
• β: 72.455 ± 0.002°
• γ: 80.535 ± 0.002°
• Cell volume: 1838.57 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No