Information card for entry 4345221

Structure parameters

• Formula: C48 H36 Cu6 Mo N18 O53 Si W12
• Calculated formula: C48 H36 Cu6 Mo N18 O53 Si W12
• Title of publication: Two Unprecedented POM-Based Inorganic-Organic Hybrids with Concomitant Heteropolytungstate and Molybdate.
• Authors of publication: Li, Yun-Wu; Guo, Ling-Yu; Su, Hai-Feng; Jagodič, Marko; Luo, Ming; Zhou, Xiao-Qi; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 2481 - 2489
• a: 13.355 ± 0.0001 Å
• b: 18.1021 ± 0.0002 Å
• c: 20.3541 ± 0.0002 Å
• α: 91.505 ± 0.001°
• β: 106.58 ± 0.001°
• γ: 110.805 ± 0.001°
• Cell volume: 4363.62 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No