Information card for entry 2021392

Structure parameters

• Formula: C116 H92 As2 Cu8 Gd2 K2 N16 O126 W22
• Calculated formula: C116 H92 As2 Cu8 Gd2 K2 N16 O126 W22
• Title of publication: Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates
• Authors of publication: Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 12
• a: 30.5038 ± 0.0007 Å
• b: 14.1439 ± 0.0004 Å
• c: 48.2029 ± 0.0012 Å
• α: 90°
• β: 108.131 ± 0.003°
• γ: 90°
• Cell volume: 19764.2 ± 0.9 ų
• Cell temperature: 190 ± 20 K
• Ambient diffraction temperature: 190 ± 20 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes