Information card for entry 1577352

Structure parameters

• Formula: C63 H126 Ga7 N7 Zr
• Calculated formula: C63 H126 Ga7 N7 Zr
• 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: 12.596 ± 0.001 Å
• b: 12.7436 ± 0.0009 Å
• c: 24.9845 ± 0.0019 Å
• α: 100.625 ± 0.003°
• β: 97.016 ± 0.003°
• γ: 103.616 ± 0.002°
• Cell volume: 3773 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No