Information card for entry 7060225

Structure parameters

• Formula: C15 H18.5 N Ni O7.75
• Calculated formula: C15 H17 N Ni O7.75
• Title of publication: Nickel(ii) di-aqua complex containing a water cluster: synthesis, X-ray structure and catecholase activity
• Authors of publication: Shit, Madhusudan; Maity, Suvendu; Bera, Sachinath; Mudi, Prafullya Kumar; Biswas, Bhaskar; Weyhermüller, Thomas; Ghosh, Prasanta
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 2221 - 2227
• a: 12.343 ± 0.002 Å
• b: 14.617 ± 0.003 Å
• c: 18.348 ± 0.003 Å
• α: 81.497 ± 0.009°
• β: 89.659 ± 0.008°
• γ: 89.249 ± 0.009°
• Cell volume: 3273.6 ± 1 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: 0.0701
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No