Information card for entry 7101876

Structure parameters

• Formula: C18 H118 N12 Ni13 O100 Si2 W18
• Calculated formula: C18 H66 N12 Ni13 O100 Si2 W18
• Title of publication: Combination between lacunary polyoxometalates and high-nuclear transition metal clusters under hydrothermal conditions: I. from isolated cluster to 1-D chain.
• Authors of publication: Zheng, Shou-Tian; Yuan, Da-Qiang; Jia, Hong-Peng; Zhang, Jie; Yang, Guo-Yu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 18
• Pages of publication: 1858 - 1860
• a: 13.9166 ± 0.001 Å
• b: 24.2125 ± 0.001 Å
• c: 18.0515 ± 0.001 Å
• α: 90 ± 0.001°
• β: 109.117 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 5747.1 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0507
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No