Information card for entry 7018988

Structure parameters

• Formula: C16 H82 Cu4 N16 Nb18 O76 Si
• Calculated formula: C16 H32 Cu4 N16 Nb18 O54 Si
• Title of publication: A new organic‒inorganic hybrid based on the crescent-shaped polyoxoanion [H6SiNb18O54]8− and copper‒organic cations
• Authors of publication: Huang, Peng; Qin, Chao; Wang, Xin-Long; Sun, Chun-Yi; Xing, Yan; Wang, Hai-Ning; Shao, Kui-Zhan; Su, Zhong-Min
• Journal of publication: Dalton Transactions
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 20
• Pages of publication: 6075
• a: 24.811 ± 0.002 Å
• b: 21.753 ± 0.002 Å
• c: 22.39 ± 0.002 Å
• α: 90°
• β: 102.993 ± 0.002°
• γ: 90°
• Cell volume: 11774.8 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No