Information card for entry 4086243

Structure parameters

• Formula: C95 H104 B2 N8 O3 Rh2
• Calculated formula: C95 H104 B2 N8 O3 Rh2
• SMILES: [Rh]1234([n]5n(ccc5)CCN5C=4N(c4cc(N6C7=[Rh]89%10([n]%11n(CCN7C=C6)ccc%11)[CH]6=[CH]9CC[CH]8=[CH]%10CC6)ccc4)C=C5)[CH]4CC[CH]3=[CH]1CC[CH]2=4.O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 18.6135 ± 0.0011 Å
• b: 11.1826 ± 0.0006 Å
• c: 43.152 ± 0.003 Å
• α: 90°
• β: 96.296 ± 0.0018°
• γ: 90°
• Cell volume: 8927.8 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 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: 0.105
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.2085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No