Information card for entry 2216642

Structure parameters

• Chemical name: Diaqua[N,N'-bis(4-methoxybenzyl)-2,2'-(ethane-1,2- diyldiimino)diacetato]nickel(II) sesquihydrate
• Formula: C22 H33 N2 Ni O9.5
• Calculated formula: C22 H33 N2 Ni O9.5
• Title of publication: Diaqua[<i>N</i>,<i>N</i>'-bis(4-methoxybenzyl)-2,2'-(ethane-1,2-diyldiimino)diacetato]nickel(II) sesquihydrate
• Authors of publication: Zhang, Min; Song, Xuegang; Su, Ping; Meng, Xianggao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3164 - m3164
• a: 25.1393 ± 0.0014 Å
• b: 8.1256 ± 0.0004 Å
• c: 26.6925 ± 0.0015 Å
• α: 90°
• β: 114.248 ± 0.002°
• γ: 90°
• Cell volume: 4971.5 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes