Information card for entry 8101944

Structure parameters

• Chemical name: 1,3-bis(triphenylphosphonium)propane tetrakis(peroxo)tungstate tetrahydrate
• Formula: C39 H44 O12 P2 W
• Calculated formula: C39 H36 O12.001 P2 W
• Title of publication: Crystal structure of 1,3-bis(triphenylphosphonium)propane tetrakis (peroxo)tungstate tetrahydrate, [C~3~H~6~{P(C~6~H~5~)~3~}~2~][WO~8~] · 4H~2~O
• Authors of publication: Shi, X.-Y.; Wei, J.-F.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 2
• Pages of publication: 148 - 150
• a: 31.9854 ± 0.0012 Å
• b: 13.3294 ± 0.0005 Å
• c: 23.1584 ± 0.001 Å
• α: 90°
• β: 123.975 ± 0.002°
• γ: 90°
• Cell volume: 8187.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0729
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No