Information card for entry 7700011

Structure parameters

• Formula: C51 H77 Ga N6 P2 S2
• Calculated formula: C51 H77 Ga N6 P2 S2
• Title of publication: 7-Metalla-1,4-diphosphanorbornadienes: cycloaddition of monovalent group 13 NacNac complexes to a stable 1,4-diphosphinine.
• Authors of publication: Koner, Abhishek; Gabidullin, Bulat M.; Kelemen, Zsolt; Nyulászi, László; Nikonov, Georgii I.; Streubel, Rainer
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 23
• Pages of publication: 8248 - 8253
• a: 23.684 ± 0.003 Å
• b: 12.5765 ± 0.0017 Å
• c: 17.783 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5296.9 ± 1.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No