Information card for entry 7228472

Structure parameters

• Formula: C11 H16 Cr0 Cu Mo4 N4 O13
• Calculated formula: C11 H14 Cu Mo4 N4 O13
• 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: 8.224 ± 0.006 Å
• b: 10.388 ± 0.007 Å
• c: 12.836 ± 0.009 Å
• α: 84.46 ± 0.014°
• β: 80.618 ± 0.015°
• γ: 68.544 ± 0.012°
• Cell volume: 1006.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No