Information card for entry 7047295

Structure parameters

• Chemical name: (TBA)2_2e
• Formula: C68 H120 Cl4 N4 O23 V6
• Calculated formula: C66 H112.86 N4 O23 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: 19.5526 ± 0.0011 Å
• b: 15.1317 ± 0.0008 Å
• c: 30.7827 ± 0.0017 Å
• α: 90°
• β: 107.338 ± 0.001°
• γ: 90°
• Cell volume: 8693.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.2147
• Weighted residual factors for all reflections included in the refinement: 0.2563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No