Information card for entry 7208298

Structure parameters

• Formula: C68 H101 Mo8 N16 Ni O50 P V6
• Calculated formula: C68 H96 Mo8 N16 Ni O50 P V6
• Title of publication: [Ni(C17H20N4)4][H5PMoVI8VIV4O40(VIVO)2]·8H2O: confinement of heteropoly anions in Ni-containing rigid concave surfaces with high catalytic activity in the oxidation of styrene
• Authors of publication: Fu, Jie; Sun, Haixia; Xu, Yan; Wang, Congling; Zhu, Dunru; Sun, Qi; Liu, Hongke
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 5148
• a: 29.688 ± 0.004 Å
• b: 15.4772 ± 0.0018 Å
• c: 25.663 ± 0.003 Å
• α: 90°
• β: 119.778 ± 0.001°
• γ: 90°
• Cell volume: 10235 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No