Information card for entry 1518004

Structure parameters

• Common name: Nickel Dimethylglyoxime
• Chemical name: Nickel Dimethylglyoxime
• Formula: C8 H14 N4 Ni O4
• Calculated formula: C8 H14 N4 Ni O4
• Title of publication: Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies
• Authors of publication: Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R.
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2014
• Journal volume: 118
• Journal issue: 42
• Pages of publication: 24705
• a: 15.8529 ± 0.0013 Å
• b: 9.8959 ± 0.001 Å
• c: 5.8379 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 915.84 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Ambient diffracton pressure: 4500000 kPa
• Number of distinct elements: 5
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No