Information card for entry 2236545

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[(5,5,7,12,12,14-hexamethyl-1,4,8,11- tetraazacyclotetradecane-κ^4^<i>N</i>)nickel(II)]-μ-oxido- [dioxidotungstate(VI)]-μ-oxido] tetrahydrate]
• Formula: C16 H44 N4 Ni O8 W
• Calculated formula: C16 H44 N4 Ni O8 W
• SMILES: [W](=O)(=O)([O-])O[Ni]123([NH]4C(C[C@H]([NH]1CC[NH]2C(C[C@@H]([NH]3CC4)C)(C)C)C)(C)C)O[W](=O)(=O)O[Ni]123[NH]4C(C[C@H]([NH]1CC[NH]2C(C[C@@H]([NH]3CC4)C)(C)C)C)(C)C.O.O.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)nickel(II)]-μ-oxido-[dioxidotungstate(VI)]-μ-oxido] tetrahydrate]
• Authors of publication: Ou, Guang-Chuan; Yuan, Xian-You; Li, Zhi-Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m1173
• a: 8.8402 ± 0.0014 Å
• b: 11.7653 ± 0.0018 Å
• c: 13.931 ± 0.002 Å
• α: 107.163 ± 0.002°
• β: 102.529 ± 0.003°
• γ: 104.984 ± 0.003°
• Cell volume: 1268.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0961
• 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