Information card for entry 7121015

Structure parameters

• Formula: C13 H54 N2 Na2 Ni O34 W6
• Calculated formula: C13 H54 N2 Na2 Ni O34 W6
• Title of publication: [Ni(OH)3W6O18(OCH2)3CCH2OH]4-: the first tris-functionalized Anderson-type heteropolytungstate
• Authors of publication: Nadiia I. Gumerova; Alexander Roller; Annette Rompel
• Journal of publication: Chemical Communications
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 9263 - 9266
• a: 9.6825 ± 0.0004 Å
• b: 10.3943 ± 0.0005 Å
• c: 11.758 ± 0.0006 Å
• α: 113.733 ± 0.0012°
• β: 102.543 ± 0.0012°
• γ: 90.479 ± 0.0012°
• Cell volume: 1051.34 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0179
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No