Information card for entry 1520326

Structure parameters

• Formula: C76 H88 Cu6 N24 O72 Si W12
• Calculated formula: C76 H72 Cu6 N24 O72 Si W12
• Title of publication: Single-Crystal to Single-Crystal Reversible Transformations Induced by Thermal Dehydration in Keggin-Type Polyoxometalates Decorated with Copper(II)-Picolinate Complexes: The Structure Directing Role of Guanidinium
• Authors of publication: Pache, Aroa; Reinoso, Santiago; Felices, Leire; Iturrospe, Amaia; Lezama, Luis; Gutiérrez-Zorrilla, Juan
• Journal of publication: Inorganics
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 194
• a: 11.7014 ± 0.0004 Å
• b: 15.9523 ± 0.0005 Å
• c: 17.0285 ± 0.0005 Å
• α: 107.102 ± 0.003°
• β: 94.393 ± 0.003°
• γ: 101.008 ± 0.003°
• Cell volume: 2952.16 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.278
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No