Information card for entry 4123782

Structure parameters

• Formula: C48 H56 N4 Ni2 Si
• Calculated formula: C48 H56 N4 Ni2 Si
• SMILES: [Ni]123[Ni]45([Si]1([H]5)(c1ccccc1)c1ccccc1)N1c5[n]3c(C(=[N]2c2c(cccc2C(C)C)C(C)C)C)ccc5CC=C1C(=[N]4c1c(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: 28.029 ± 0.002 Å
• b: 14.9549 ± 0.0006 Å
• c: 22.436 ± 0.002 Å
• α: 90°
• β: 112.481 ± 0.003°
• γ: 90°
• Cell volume: 8689.8 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.138
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 0.78
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No