Information card for entry 7047293

Structure parameters

• Chemical name: (TBA)2_1
• Formula: C59 H102.5 I2 N3.5 O21 V6
• Calculated formula: C59 H102.5 I2 N3.5 O21 V6
• Title of publication: The Heck reaction as a tool to expand polyoxovanadates towards thiol-sensitive organic-inorganic hybrid fluorescent switches.
• Authors of publication: Linnenberg, Oliver; Mayerl, Lisa; Monakhov, Kirill Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 41
• Pages of publication: 14402 - 14407
• a: 26.365 ± 0.003 Å
• b: 17.405 ± 0.002 Å
• c: 16.919 ± 0.002 Å
• α: 90°
• β: 105.164 ± 0.002°
• γ: 90°
• Cell volume: 7493.5 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1219
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.2127
• Weighted residual factors for all reflections included in the refinement: 0.2462
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No