Information card for entry 7042208

Structure parameters

• Common name: NiDPhP
• Formula: C46 H36 N2 Ni O2
• Calculated formula: C46 H36 N2 Ni O2
• SMILES: [Ni](Oc1c(c2ccccc2)cccc1c1ccccc1)(Oc1c(c2ccccc2)cccc1c1ccccc1)([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: 11.6216 ± 0.0006 Å
• b: 15.5037 ± 0.001 Å
• c: 19.9185 ± 0.0012 Å
• α: 90°
• β: 92.902 ± 0.002°
• γ: 90°
• Cell volume: 3584.3 ± 0.4 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No