Information card for entry 2222197

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquanickel(II)]-μ-7-oxabicyclo[2.2.1]heptane-2,3- dicarboxylato]
• Formula: C8 H12 Ni O7
• Calculated formula: C8 H12 Ni O7
• SMILES: [Ni]12([OH2])([OH2])(OC(=O)[C@H]3[C@@H]4CC[C@H]([C@H]3C(=O)O1)[O]24)[O]=C1[C@H]2[C@@H]3CC[C@@H]4[C@H]2C(=O)O[Ni]([OH2])([OH2])(O1)[O]34
• Title of publication: <i>catena</i>-Poly[[diaquanickel(II)]-μ-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato]
• Authors of publication: Wang, Yun-Yun; Hu, Rui-Ding; Zhu, Wen-Zhong; Lin, Qiu-Yue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m787
• a: 10.9145 ± 0.0002 Å
• b: 8.6281 ± 0.0002 Å
• c: 10.8581 ± 0.0002 Å
• α: 90°
• β: 107.351 ± 0.001°
• γ: 90°
• Cell volume: 975.99 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0267
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes