Information card for entry 1572538

Structure parameters

• Formula: C58 H94 N4 O4 Y2
• Calculated formula: C58 H94 N4 O4 Y2
• Title of publication: Stabilizing an exotic dianionic tetrazine bridge in a Ln2 metallocene
• Authors of publication: Mavragani, Niki; Kitos, Alexandros; Mansikkamäki, Akseli; Murugesu, Muralee
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 14.2304 ± 0.0008 Å
• b: 13.3587 ± 0.0008 Å
• c: 15.0126 ± 0.001 Å
• α: 90°
• β: 95.235 ± 0.004°
• γ: 90°
• Cell volume: 2842 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0718
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No