Information card for entry 7042211

Structure parameters

• Common name: NiNR2 + DBP
• Formula: C38 H52 N2 Ni O2
• Calculated formula: C38 H52 N2 Ni O2
• SMILES: [Ni](Oc1c(cccc1C(C)(C)C)C(C)(C)C)(Oc1c(C(C)(C)C)cccc1C(C)(C)C)([n]1ccccc1)[n]1ccccc1
• Title of publication: Synthesis and characterization of a series of nickel(II) alkoxide precursors and their utility for Ni(0) nanoparticle production
• Authors of publication: Treadwell, LaRico J.; Boyle, Timothy J.; Phelan, W. Adam; Parkes, Marie V.; Young, David P.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 14.5737 ± 0.0006 Å
• b: 10.2425 ± 0.0004 Å
• c: 22.9227 ± 0.0009 Å
• α: 90°
• β: 99.204 ± 0.002°
• γ: 90°
• Cell volume: 3377.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No