Information card for entry 4509419

Structure parameters

• Formula: C36 H52 Co2 Mo12 N18 O48 Si
• Calculated formula: C36 H36 Co2 Mo12 N18 O48 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: 10.19 ± 0.002 Å
• b: 13.45 ± 0.003 Å
• c: 14.88 ± 0.003 Å
• α: 105.82 ± 0.03°
• β: 90.5 ± 0.03°
• γ: 109.19 ± 0.03°
• Cell volume: 1842.2 ± 0.8 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: 0.1022
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.2246
• Weighted residual factors for all reflections included in the refinement: 0.2378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No