Information card for entry 7033378

Structure parameters

• Formula: C26 H36 N4 Ni O11
• Calculated formula: C26 H36 N4 Ni O11
• SMILES: [Ni]12([N](=C(c3ccccc3)C3([OH]1)CCCCC3)O)([N](=C(c1ccccc1)C1([OH]2)CCCCC1)O)([OH2])ON(=O)=O.N(=O)(=O)[O-]
• Title of publication: Structural variations in metal complexes of a tertiary α-hydroxyoxime.
• Authors of publication: D'Alessio, Daniel; Lombardo, Daniel M.; Vaughan, Jamila G.; Skelton, Brian W.; Barnard, Keith R.; Ogden, Mark I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7163 - 7168
• a: 11.0894 ± 0.0007 Å
• b: 11.2694 ± 0.0007 Å
• c: 12.4577 ± 0.0009 Å
• α: 68.532 ± 0.006°
• β: 78.616 ± 0.006°
• γ: 87.72 ± 0.005°
• Cell volume: 1419.44 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No