Information card for entry 7003205

Structure parameters

• Formula: C102 H227 N9 O62 V3 W17
• Calculated formula: C95 H190.5 N9 O62 V3.08 W16.92
• Title of publication: Bridging the gap between solution and solid state studies in polyoxometalate chemistry: Discovery of a family of [V1M17]-based cages encapsulating two {VVO4} moieties
• Authors of publication: Miras, Haralampos N.; Long, De-Liang; Kögerler, Paul; Cronin, Leroy
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 2
• Pages of publication: 214 - 221
• a: 31.428 ± 0.003 Å
• b: 15.9838 ± 0.0017 Å
• c: 33.615 ± 0.004 Å
• α: 90°
• β: 102.154 ± 0.002°
• γ: 90°
• Cell volume: 16508 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0905
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No