Information card for entry 1560856

Structure parameters

• Formula: C77 H80 Ge N Ni O2 P3 Si
• Calculated formula: C77 H80 Ge N Ni O2 P3 Si
• SMILES: [Ge]1([Ni]([P](c2ccccc2)(c2ccccc2)C[Si](N1c1c(C(C)C)cccc1C(C)C)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)O.O(CC)CC
• 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: 17.68 ± 0.004 Å
• b: 19.18 ± 0.004 Å
• c: 20.65 ± 0.004 Å
• α: 90°
• β: 108.8 ± 0.03°
• γ: 90°
• Cell volume: 6629 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0935
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No