Information card for entry 1560845

Structure parameters

• Formula: C31 H44 N P Si
• Calculated formula: C31 H44 N P Si
• SMILES: P(C[Si](Nc1c(cccc1C(C)C)C(C)C)(C(C)C)C(C)C)(c1ccccc1)c1ccccc1
• 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: 35.733 ± 0.007 Å
• b: 9.74 ± 0.0019 Å
• c: 17.97 ± 0.004 Å
• α: 90°
• β: 107.22 ± 0.03°
• γ: 90°
• Cell volume: 5974 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No