Information card for entry 1560854

Structure parameters

• Formula: C41 H44 Br2 Cl Ge N3 Ni P Si
• Calculated formula: C41 H44 Br2 Cl Ge N3 Ni P Si
• Title of publication: Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex
• Authors of publication: Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 15
• Pages of publication: 5582 - 5590
• a: 20.25 ± 0.004 Å
• b: 11.15 ± 0.002 Å
• c: 18.55 ± 0.004 Å
• α: 90°
• β: 94.5 ± 0.03°
• γ: 90°
• Cell volume: 4175.4 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No