Information card for entry 4079797

Structure parameters

• Chemical name: UMCB0009_AH_I_201
• Formula: C44 H54 I2 N4 Rh2
• Calculated formula: C44 H54 I2 N4 Rh2
• SMILES: I[Rh]123(=C4N(CCCC)c5c(N4c4cccc(N6c7ccccc7N(C6=[Rh]678(I)[CH]9CC[CH]7=[CH]6CC[CH]8=9)CCCC)c4)cccc5)[CH]4=[CH]1CC[CH]3=[CH]2CC4
• Title of publication: Synthesis and Characterization of a 1,3-Phenylene-Bridged N-Alkyl Bis(benzimidazole) CCC-NHC Pincer Ligand Precursor: Homobimetallic Silver and Rhodium Complexes and the Catalytic Hydrosilylation of Phenylacetylene
• Authors of publication: Huckaba, Aron J.; Hollis, T. Keith; Howell, Tyler O.; Valle, Henry U.; Wu, Yunshan
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 63
• a: 8.4719 ± 0.0003 Å
• b: 17.0771 ± 0.0005 Å
• c: 14.8339 ± 0.0005 Å
• α: 90°
• β: 103.558 ± 0.002°
• γ: 90°
• Cell volume: 2086.3 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.65 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.03473
• Residual factor for significantly intense reflections: 0.03224
• Weighted residual factors for all reflections included in the refinement: 0.081171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01149
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No