Information card for entry 7131288

Structure parameters

• Formula: C86 H75.75 Mo12 N1.75 O41.75 P4
• Calculated formula: C72 H60 Mo12 O40 P4
• Title of publication: Light-induced dissolution and concomitant crystallization of a Keggin-type polyoxometalate mimicking a naturally occurring phenomenon.
• Authors of publication: Tandekar, Kesar; Schmidtmann, Marc; Tripathi, Anjali; Mishra, Neeraj Kumar; Supriya, Sabbani
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 22
• Pages of publication: 3241 - 3244
• a: 14.219 ± 0.003 Å
• b: 25.074 ± 0.006 Å
• c: 27.423 ± 0.007 Å
• α: 90°
• β: 97.437 ± 0.011°
• γ: 90°
• Cell volume: 9695 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No