Information card for entry 1560851

Structure parameters

• Formula: C73 H69 Br Ge N Ni P3 Si
• Calculated formula: C73 H69 Br Ge N Ni P3 Si
• SMILES: [Ge]1([Ni]([P](C[Si](N1c1c(C(C)C)cccc1C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)Br
• 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: 12.68 ± 0.003 Å
• b: 15.53 ± 0.003 Å
• c: 19.47 ± 0.004 Å
• α: 98.6 ± 0.03°
• β: 92 ± 0.03°
• γ: 91.3 ± 0.03°
• Cell volume: 3787.1 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No