Information card for entry 2016073

Structure parameters

• Chemical name: Aqua-1κO-{μ-1,3-bis[2-(2-oxidobenzylideneamino)ethyl]-2-(2- oxidophenyl)imidazolidine-1κ^4^O,N,N',O';2κ^4^O',N'',N''',O''}- (μ-2-oxidobenzaldehyde-1:2κ^3^O^2^:O^2^,O^1^)dinickel(II) 2.38-hydrate
• Formula: C34 H36 N4 Ni2 O8.38
• Calculated formula: C34 H38.76 N4 Ni2 O8.38
• Title of publication: Aqua-1κ<i>O</i>-{μ-1,3-bis[2-(2-oxidobenzylideneamino)ethyl]-2-(2-oxidophenyl)imidazolidine-1κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>';2κ^4^<i>O</i>',<i>N</i>'',<i>N</i>''',<i>O</i>''}(μ-2-formylphenolato-1:2κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^2^)dinickel(II) trihydrate: a one-dimensional chain linked by O—H···O hydrogen bonds and C—H···π interactions
• Authors of publication: Lu, Li-Ping; Lu, Xiao-Ping; Zhu, Miao-Li
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m374 - m376
• a: 11.4361 ± 0.0008 Å
• b: 21.5977 ± 0.0016 Å
• c: 14.7334 ± 0.0011 Å
• α: 90°
• β: 101.466 ± 0.001°
• γ: 90°
• Cell volume: 3566.4 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0816
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No