Information card for entry 7710073

Structure parameters

• Formula: C37 H31 Cl2 N3 O P Re
• Calculated formula: C37 H31 Cl2 N3 O P Re
• SMILES: [Re]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)(N=O)(n5nc(c6ccccc6)c6c5cccc6)[cH]5[cH]1[cH]2[cH]3[cH]45.C(Cl)Cl
• Title of publication: Syntheses, Rearrangements, and Structural Analyses of Unsaturated Nitrogen Donor Ligands Derived from Diphenyldiazomethane and the Chiral Rhenium Lewis Acid [(η5-C5H5)Re(NO)(PPh3)]+
• Authors of publication: Estrada, Alexander Louis; Wititsuwannakul, Taveechai; Kromm, Klemenz; Hampel, Frank; Hall, Michael B.; Gladysz, John
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.4775 ± 0.0002 Å
• b: 18.2342 ± 0.0005 Å
• c: 34.1669 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6527.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No