Information card for entry 4125581

Structure parameters

• Formula: C32 H56 N4 Ni
• Calculated formula: C32 H56 N4 Ni
• SMILES: CC1C(C)=[N](C2CCCCC2)[Ni]2([N]=1C1CCCCC1)[N](=C(C(C)=[N]2C1CCCCC1)C)C1CCCCC1
• Title of publication: Benzyltriboronates: Building Blocks for Diastereoselective Carbon-Carbon Bond Formation.
• Authors of publication: Palmer, W. Neil; Zarate, Cayetana; Chirik, Paul J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 7
• Pages of publication: 2589 - 2592
• a: 10.3974 ± 0.0006 Å
• b: 11.1012 ± 0.0006 Å
• c: 15.5433 ± 0.0008 Å
• α: 71.692 ± 0.002°
• β: 80.489 ± 0.002°
• γ: 64.912 ± 0.002°
• Cell volume: 1541.49 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.218
• Weighted residual factors for all reflections included in the refinement: 0.2338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No