Information card for entry 7242967

Structure parameters

• Formula: C15 H16 N2 O4 Re
• Calculated formula: C15 H16 N2 O4 Re
• 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: 6.852 ± 0.0003 Å
• b: 24.5256 ± 0.0009 Å
• c: 10.3668 ± 0.0004 Å
• α: 90°
• β: 108.523 ± 0.0017°
• γ: 90°
• Cell volume: 1651.89 ± 0.12 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No