Information card for entry 7242963

Structure parameters

• Formula: C15 H19 N2 O5 Re
• Calculated formula: C15 H19 N2 O5 Re
• SMILES: [Re]1234([c]5([cH]1[cH]2[cH]3[cH]45)C1N(O)C(C)(C)C(C)(C)N1O)(C#[O])(C#[O])C#[O]
• Title of publication: Re(i)-nitroxide complexes
• Authors of publication: Maryunina, Kseniya; Letyagin, Gleb; Bogomyakov, Artem; Morozov, Vitaly; Tumanov, Sergey; Veber, Sergey; Fedin, Matvey; Saverina, Evgeniya; Syroeshkin, Mikhail; Egorov, Mikhail; Romanenko, Galina; Ovcharenko, Victor
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 32
• Pages of publication: 19902 - 19907
• a: 10.3946 ± 0.0004 Å
• b: 7.1672 ± 0.0003 Å
• c: 22.2958 ± 0.0008 Å
• α: 90°
• β: 94.2819 ± 0.0011°
• γ: 90°
• Cell volume: 1656.4 ± 0.11 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No