Information card for entry 1576880

Structure parameters

• Formula: C112 H91 B2 F50 Ga4 N Ni
• Calculated formula: C112 H91 B2 F50 Ga4 N 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: 18.5457 ± 0.0014 Å
• b: 24.97 ± 0.002 Å
• c: 24.6272 ± 0.0019 Å
• α: 90°
• β: 90.42 ± 0.003°
• γ: 90°
• Cell volume: 11404.2 ± 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: 0.0761
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No