Information card for entry 1576879

Structure parameters

• Formula: C124 H109 B2 F50 Ga5 N2 Ni
• Calculated formula: C124 H109 B2 F50 Ga5 N2 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: 14.954 ± 0.004 Å
• b: 15.115 ± 0.004 Å
• c: 31.972 ± 0.008 Å
• α: 86.988 ± 0.009°
• β: 77.697 ± 0.008°
• γ: 86.723 ± 0.008°
• Cell volume: 7043 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No