Information card for entry 1576881

Structure parameters

• Formula: C76 H42 B2 F48 N6 Ni
• Calculated formula: C76 H42 B2 F48 N6 Ni
• 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
• a: 15.5145 ± 0.0008 Å
• b: 16.2457 ± 0.0007 Å
• c: 16.922 ± 0.0008 Å
• α: 90°
• β: 103.637 ± 0.002°
• γ: 90°
• Cell volume: 4144.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0708
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No