Information card for entry 2239373

Structure parameters

• Chemical name: Diaquabis[<i>N</i>-(2-fluorobenzyl)-<i>N</i>-nitrosohydroxylaminato-κ^2^<i>O</i>,<i>O</i>']nickel(II)
• Formula: C14 H16 F2 N4 Ni O6
• Calculated formula: C14 H16 F2 N4 Ni O6
• SMILES: c1(c(cccc1)CN1N=[O][Ni]2(O1)([OH2])(ON(Cc1c(cccc1)F)N=[O]2)[OH2])F
• Title of publication: Diaquabis[<i>N</i>-(2-fluorobenzyl)-<i>N</i>-nitrosohydroxylaminato-κ^2^<i>O</i>,<i>O</i>']nickel(II)
• Authors of publication: Kovalchukova, Olga; Bostanabad, Ali Sheikh; Stash, Adam; Strashnova, Svetlana; Zyuzin, Igor
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: m98 - m99
• a: 15.411 ± 0.003 Å
• b: 7.235 ± 0.001 Å
• c: 7.604 ± 0.001 Å
• α: 90°
• β: 91.65 ± 0.03°
• γ: 90°
• Cell volume: 847.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0675
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes