Information card for entry 7220834

Structure parameters

• Formula: C13 H16 Cu Mo4 N6 O16
• Calculated formula: C13 H14 Cu Mo4 N6 O16
• Title of publication: Application of flexible bis-pyrazine-bis-amide ligands to construct various polyoxometalate-based metal-organic complexes
• Authors of publication: Wang, Xiuli; Liu, Danna; Lin, Hongyan; Liu, Guocheng; Han, Na; Luan, Jian; Chang, Zhihan
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.6557 ± 0.0004 Å
• b: 13.8735 ± 0.0006 Å
• c: 17.0837 ± 0.0007 Å
• α: 90°
• β: 99.723 ± 0.001°
• γ: 90°
• Cell volume: 2489.24 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0237
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No