Information card for entry 7247924

Structure parameters

• Formula: C6 H10 N3 O6 Re
• Calculated formula: C6 H10 N3 O6 Re
• Title of publication: What kind of interactions we may get moving from zwitter to “dritter” ions: C–O⋯Re(O4) and Re–O⋯Re(O4) anion⋯anion interactions make structural difference between l-histidinium perrhenate and pertechnetate
• Authors of publication: Novikov, Anton P.; Safonov, Alexey V.; German, Konstantin E.; Grigoriev, Mikhail S.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 61 - 69
• a: 9.2915 ± 0.0003 Å
• b: 17.0748 ± 0.0005 Å
• c: 19.5885 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3107.73 ± 0.16 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No