Information card for entry 7126038

Structure parameters

• Formula: C54 H39 F5 N3 O2 Rh
• Calculated formula: C54 H38 F5 N3 O2 Rh
• SMILES: [Rh]1(n2c3=C(c4[n]1c(cc4)=C(c1cc(c4nc(c5cc(ccc5)C(c5c(cc(cc5C)C)C)=c2cc3)ccc4)ccc1)c1c(cc(cc1C)C)C)c1c(F)c(F)c(F)c(F)c1F)(C#[O])C#[O]
• Title of publication: Isosmaragdyrin with an N₃C₂ core: stabilization of Rh(i) and organo-Pt(ii) complexes.
• Authors of publication: Das, Mainak; Chitranshi, Sangya; Murugavel, M.; Adinarayana, B.; Suresh, Cherumuttathu H.; Srinivasan, A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 24
• Pages of publication: 3551 - 3554
• a: 12.7471 ± 0.0002 Å
• b: 24.2024 ± 0.0004 Å
• c: 35.7587 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11031.9 ± 0.5 ų
• Cell temperature: 296.87 ± 0.1 K
• Ambient diffraction temperature: 296.87 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.1014
• Weighted residual factors for significantly intense reflections: 0.2736
• Weighted residual factors for all reflections included in the refinement: 0.2901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No