Information card for entry 4509413

Structure parameters

• Formula: C48 H52 Ag4 Mo12 N24 O42 Si
• Calculated formula: C48 H48 Ag4 Mo12 N24 O42 Si
• Title of publication: Structural Investigation of Flexible 1,4-Bis(1,2,4-triazol-1-ylmethyl)benzene Ligand in Keggin-Based Polyoxometalate Frameworks
• Authors of publication: Dong, Bao-xia; Xu, Qiang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 2776
• a: 13 ± 0.003 Å
• b: 13.3 ± 0.003 Å
• c: 14.084 ± 0.003 Å
• α: 74.66 ± 0.03°
• β: 63.59 ± 0.03°
• γ: 87 ± 0.03°
• Cell volume: 2097.3 ± 1.1 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: 0.1018
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.2008
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.287
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No