Information card for entry 1560846

Structure parameters

• Formula: C74 H78 Br6 Ge2 N2 Ni2 P2 Si2
• Calculated formula: C74 H78 Br6 Ge2 N2 Ni2 P2 Si2
• SMILES: c1(c(cccc1C(C)C)C(C)C)N1[Ge](Br)(Br)[Ni]2([P](C[Si]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Br][Ni]1([P](C[Si](N(c3c(cccc3C(C)C)C(C)C)[Ge]1(Br)Br)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Br]2
• 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: 40.613 ± 0.008 Å
• b: 9.87 ± 0.002 Å
• c: 23.16 ± 0.005 Å
• α: 90°
• β: 101.59 ± 0.03°
• γ: 90°
• Cell volume: 9094 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0785
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No