Information card for entry 7003206

Structure parameters

• Formula: C102 H227 Mo17 N9 O62 V3
• Calculated formula: C78.7 Mo16.92 N7.6 O62 V3.08
• 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: 31.2232 ± 0.0011 Å
• b: 15.8592 ± 0.0005 Å
• c: 33.5475 ± 0.0014 Å
• α: 90°
• β: 102.542 ± 0.004°
• γ: 90°
• Cell volume: 16215.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2136
• Residual factor for significantly intense reflections: 0.1112
• Weighted residual factors for significantly intense reflections: 0.2382
• Weighted residual factors for all reflections included in the refinement: 0.2913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No