Information card for entry 7036440

Structure parameters

• Formula: C18 H86 Cs Mo12 N6 Na9 Ni6 O101 P8
• Calculated formula: C18 H30 Cs Mo12 N6 Na9 Ni6 O101 P8
• Title of publication: Grafting transition metal-organophosphonate fragments onto heteropolyoxomolybdate: activity in photocatalysis.
• Authors of publication: Sun, Xiaopeng; Liang, Zhijie; Ma, Pengtao; Ban, Ran; Jiang, Mingshuang; Zhang, Dongdi; Wang, Jingping; Niu, Jingyang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 40
• Pages of publication: 17544 - 17550
• a: 14.8247 ± 0.0008 Å
• b: 45.237 ± 0.002 Å
• c: 18.8324 ± 0.0009 Å
• α: 90°
• β: 103.371 ± 0.001°
• γ: 90°
• Cell volume: 12287.1 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 9
• 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: 0.0554
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No