Information card for entry 4500176

Structure parameters

• Common name: CoW12Si-DEF
• Formula: C98 H232 Co4 N38 O139 Si3 W36
• Calculated formula: C98 H232 Co4 N38 O139 Si3 W36
• Title of publication: Structural and Selective Gas Adsorption Studies of Polyoxometalate and Tris(ethylenediamine) Cobalt(III) Based Ionic Crystals
• Authors of publication: Dey, Chandan; Das, Raja; Pachfule, Pradip; Poddar, Pankaj; Banerjee, Rahul
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 139
• a: 14.0765 ± 0.0011 Å
• b: 41.183 ± 0.003 Å
• c: 22.7696 ± 0.0018 Å
• α: 90°
• β: 93.713 ± 0.001°
• γ: 90°
• Cell volume: 13172.1 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0964
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.1893
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No