Information card for entry 2215171

Structure parameters

• Chemical name: Bis[μ~2~-<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>'- dinickel(II)zinc(II)
• Formula: C44 H60 N6 Ni2 O10 Zn
• Calculated formula: C44 H60 N6 Ni2 O10 Zn
• SMILES: O1[Zn]234([O]5[Ni]67([NH](Cc8c(cccc8)[O]26)CCC[NH]7Cc2ccccc25)([O]=C1C)[O]=CN(C)C)[O]1[Ni]25([NH](Cc6c1cccc6)CCC[NH]2Cc1ccccc1[O]35)([O]=C(O4)C)[O]=CN(C)C
• Title of publication: Bis[μ~2~-<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~-acetato-1:2κ^2^<i>O</i>:<i>O</i>';2:3κ^2^<i>O</i>:<i>O</i>'-dinickel(II)zinc(II)
• Authors of publication: Tatar Yıldırım, Leyla; Ergun, Ümit
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2424 - m2425
• a: 10.3035 ± 0.0013 Å
• b: 17.894 ± 0.004 Å
• c: 12.584 ± 0.002 Å
• α: 90°
• β: 92.124 ± 0.013°
• γ: 90°
• Cell volume: 2318.5 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1257
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes