Information card for entry 4087326

Structure parameters

• Formula: C46 H72 Br2 N2 Ni2
• Calculated formula: C46 H72 Br2 N2 Ni2
• SMILES: CC1[CH]2=[C]3(C(C)(CC(C)(N3c3c(cccc3C(C)C)C(C)C)C)C)[Ni]312[Br][Ni]12(C(C)[CH]1=[C]12C(CC(C)(C)N1c1c(cccc1C(C)C)C(C)C)(C)C)[Br]3
• Title of publication: Synthesis and Reactivity of Cyclic (Alkyl)(Amino)Carbene Stabilized Nickel Carbonyl Complexes
• Authors of publication: Paul, Ursula S. D.; Radius, Udo
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 7
• Pages of publication: 1398
• a: 8.9013 ± 0.0013 Å
• b: 9.3188 ± 0.0014 Å
• c: 14.652 ± 0.002 Å
• α: 78.748 ± 0.004°
• β: 88.349 ± 0.004°
• γ: 64.816 ± 0.004°
• Cell volume: 1076.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No