Information card for entry 2215203

Structure parameters

• Chemical name: Bis[μ~2~-2,2'-dimethyl-N,N'-bis(2-oxidobenzyl)propane-1,3-diamine]- 1κ^4^O,N,N',O':2κ^2^O,O';2κ^2^O,O':3κ^4^O,N,N',O'-bis(N,N'- dimethylformamide)-1κO,3κO-di-μ~2~-formato-1:2κ^2^O:O';2:3κ^2^O:O'- trinickel(II)
• Formula: C46 H64 N6 Ni3 O10
• Calculated formula: C46 H64 N6 Ni3 O10
• SMILES: c12ccccc1C[NH]1CC(C)(C)C[NH]3Cc4ccccc4[O]4[Ni]567([O]2[Ni]134([O]=CN(C)C)[O]=CO7)[O]1c2ccccc2C[NH]2CC(C)(C)C[NH]3Cc4ccccc4[O]5[Ni]123([O]=CN(C)C)OC=[O]6
• Title of publication: Bis[μ~2~-2,2'-dimethyl-<i>N</i>,<i>N</i>'-bis(2-oxidobenzyl)propane-1,3-diamine]-1κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':2κ^2^<i>O</i>,<i>O</i>';2κ^2^<i>O</i>,<i>O</i>':3κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-bis(<i>N</i>,<i>N</i>'-dimethylformamide)-1κ<i>O</i>,3κ<i>O</i>-di-μ~2~-formato-1:2κ^2^<i>O</i>:<i>O</i>';2:3κ^2^<i>O</i>:<i>O</i>'-trinickel(II)
• Authors of publication: Tatar Yıldırım, Leyla; Atakol, Orhan; Kavak, Gülten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2403 - m2404
• a: 10.289 ± 0.002 Å
• b: 14.054 ± 0.005 Å
• c: 17.005 ± 0.004 Å
• α: 90°
• β: 103.433 ± 0.019°
• γ: 90°
• Cell volume: 2391.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1863
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes