Information card for entry 1560855

Structure parameters

• Formula: C73 H69 Br0.19 Cl0.81 Ge N Ni P3 Si
• Calculated formula: C73 H69 Br0.191 Cl0.809 Ge N Ni P3 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: 12.16 ± 0.002 Å
• b: 13.52 ± 0.003 Å
• c: 20.8 ± 0.004 Å
• α: 75.4 ± 0.03°
• β: 89 ± 0.03°
• γ: 70.9 ± 0.03°
• Cell volume: 3119.1 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No