Information card for entry 4123781

Structure parameters

• Formula: C48 H56 N4 Ni2 Si
• Calculated formula: C48 H56 N4 Ni2 Si
• SMILES: [Ni]123[n]4c(C(=[N]3c3c(cccc3C(C)C)C(C)C)C)ccc3ccc5C(=[N]([Ni]1([n]5c43)[H][Si]([H]2)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)C
• Title of publication: Reversible substrate activation and catalysis at an intact metal-metal bond using a redox-active supporting ligand.
• Authors of publication: Steiman, Talia J.; Uyeda, Christopher
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 18
• Pages of publication: 6104 - 6110
• a: 14.7729 ± 0.0016 Å
• b: 17.2564 ± 0.0015 Å
• c: 17.9954 ± 0.0016 Å
• α: 79.451 ± 0.005°
• β: 84.068 ± 0.006°
• γ: 70.419 ± 0.005°
• Cell volume: 4244.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1124
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No