Information card for entry 4123783

Structure parameters

• Formula: C40 H56 N4 Ni2 Si
• Calculated formula: C40 H56 N4 Ni2 Si
• SMILES: [Ni]1234[N](=C(c5[n]3c3[n]6[Ni]71([N](=C(c6ccc3cc5)C)c1c(cccc1C(C)C)C(C)C)[Si]2(CC)(CC)([H]4)[H]7)C)c1c(cccc1C(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: 8.336 ± 0.0005 Å
• b: 14.5421 ± 0.0005 Å
• c: 16.3083 ± 0.0006 Å
• α: 77.782 ± 0.002°
• β: 86.567 ± 0.004°
• γ: 77.599 ± 0.004°
• Cell volume: 1886.87 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0491
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No