Information card for entry 4086244

Structure parameters

• Formula: C47 H48 B Cl2 N4 Rh
• Calculated formula: C47 H48 B Cl2 N4 Rh
• SMILES: [Rh]1234([n]5n(ccc5)CCN5C=1N(C=C5)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Bimetallic N-Heterocyclic Carbene Rh(I) Complexes: Probing the Cooperative Effect for the Catalyzed Hydroelementation of Alkynes
• Authors of publication: Diachenko, Vera; Page, Michael J.; Gatus, Mark R. D.; Bhadbhade, Mohan; Messerle, Barbara A.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 18
• Pages of publication: 4543
• a: 13.467 ± 0.003 Å
• b: 21.557 ± 0.006 Å
• c: 14.219 ± 0.004 Å
• α: 90°
• β: 98.858 ± 0.009°
• γ: 90°
• Cell volume: 4078.7 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1144
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No