Information card for entry 4127691

Structure parameters

• Formula: C54 H74 Cl4 N6 O8 Rh2
• Calculated formula: C54 H74 Cl4 N6 O8 Rh2
• SMILES: C12C(Cc3cc(ccc3)CC(C3=[O][Rh]45([N](=N#N)C67CC8CC(C6)CC(C7)C8)(O1)[O]=C1O[Rh]5(O3)([O]=2)([N](=N#N)C23CC5CC(C2)CC(C3)C5)[O]=C(C(Cc2cc(ccc2)CC1(C)C)(C)C)O4)(C)C)(C)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: Characterization of a Reactive Rh₂ Nitrenoid by Crystalline Matrix Isolation.
• Authors of publication: Das, Anuvab; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 41
• Pages of publication: 16232 - 16236
• a: 10.8681 ± 0.0011 Å
• b: 14.2652 ± 0.0014 Å
• c: 18.7149 ± 0.0019 Å
• α: 90°
• β: 105.731 ± 0.001°
• γ: 90°
• Cell volume: 2792.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.24796 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No