Information card for entry 7228474

Structure parameters

• Formula: C8 H16 Cr0 Cu3 K2 Mo8 N8 O31
• Calculated formula: C8 H16 Cu3 K2 Mo8 N8 O31
• Title of publication: Influence of pendant 2-[1,2,4]triazol-4-yl-ethylamine and symmetrical bis(pyrazol) ligands on dimensional extension of POM-based compounds
• Authors of publication: Tian, Aixiang; Ni, Huaiping; Ji, Xuebin; Tian, Yan; Liu, Guocheng; Ying, Jun
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 49
• Pages of publication: 30573
• a: 8.4612 ± 0.0007 Å
• b: 10.5659 ± 0.0011 Å
• c: 10.7372 ± 0.0009 Å
• α: 100.957 ± 0.002°
• β: 102.211 ± 0.002°
• γ: 100.545 ± 0.002°
• Cell volume: 895.82 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.047
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No