Information card for entry 1577353

Structure parameters

• Formula: C290 H351 B4 F99 Ga16 N16 Zr2
• Calculated formula: C290 H351 B4 F99 Ga16 N16 Zr2
• Title of publication: Homoleptic seven-coordinate Ti(0) and Zr(0) through a new stabilization mode.
• Authors of publication: Antsiburov, Ivan; Bühler, Raphael; Stephan, Johannes; Erdyakov, Maxim; Gemel, Christian; Kahlal, Samia; Cador, Olivier; Guizouarn, Thierry; Saillard, Jean-Yves; Meyer, Karsten; Fischer, Roland A.
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 18
• Pages of publication: 8989 - 8997
• a: 17.7049 ± 0.001 Å
• b: 32.5007 ± 0.0018 Å
• c: 28.0612 ± 0.0015 Å
• α: 90°
• β: 92.954 ± 0.002°
• γ: 90°
• Cell volume: 16125.6 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0951
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.247
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No