Information card for entry 1560853

Structure parameters

• Formula: C71 H84 Ge N Ni O2 P3 Si
• Calculated formula: C71 H84 Ge N Ni O2 P3 Si
• SMILES: [Ge]1([Ni]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(C[Si](N1c1c(cccc1C(C)C)C(C)C)(C(C)C)C(C)C)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: 17.43 ± 0.004 Å
• b: 19.84 ± 0.004 Å
• c: 19.41 ± 0.004 Å
• α: 90°
• β: 103.4 ± 0.03°
• γ: 90°
• Cell volume: 6529 ± 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: 0.08
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No