Information card for entry 2233421

Structure parameters

• Chemical name: μ-Oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^- bis[diaqua(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')zinc] bis[2-(1<i>H</i>-benzotriazol-1-yl)acetate] hexahydrate
• Formula: C38 H48 N10 O18 Zn2
• Calculated formula: C38 H48 N10 O18 Zn2
• SMILES: c12c3cccc[n]3[Zn]3([n]1cccc2)([OH2])([O]=C1C(O3)=[O][Zn]2([n]3ccccc3c3cccc[n]23)([OH2])(O1)[OH2])[OH2].n1(nnc2c1cccc2)CC(=O)[O-].O.O.O.n1(nnc2c1cccc2)CC(=O)[O-].O.O.O
• Title of publication: μ-Oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis[diaqua(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')zinc] bis[2-(1<i>H</i>-benzotriazol-1-yl)acetate] hexahydrate
• Authors of publication: Zeng, Ling; Wang, Qinglin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m196
• a: 16.791 ± 0.002 Å
• b: 18.218 ± 0.002 Å
• c: 7.7461 ± 0.0009 Å
• α: 90°
• β: 92.233 ± 0.002°
• γ: 90°
• Cell volume: 2367.7 ± 0.5 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.1174
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes