Information card for entry 4086023

Structure parameters

• Chemical name: bicyclo[2.2.1]hepta-2,5-diene{N-2,6-diisopropylphenyl(t-butyl)amidato}rhodium(I) dimer
• Formula: C52 H60 N2 O2 Rh2
• Calculated formula: C52 H60 N2 O2 Rh2
• SMILES: O1[Rh]234([CH]5C6[CH]2=[CH]3C(C6)[CH]4=5)[N](=C(c2ccccc2)O[Rh]234([N](=C1c1ccccc1)c1c(cccc1C(C)C)C(C)C)[CH]1=[CH]2C2CC1[CH]3=[CH]42)c1c(cccc1C(C)C)C(C)C
• Title of publication: Amidate-Ligated Complexes of Rhodium(I): A Showcase of Coordination Flexibility
• Authors of publication: Drover, Marcus W.; Schafer, Laurel L.; Love, Jennifer A.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 10
• Pages of publication: 1783
• a: 16.678 ± 0.007 Å
• b: 11.678 ± 0.005 Å
• c: 22.492 ± 0.01 Å
• α: 90°
• β: 102.067 ± 0.008°
• γ: 90°
• Cell volume: 4284 ± 3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No