Information card for entry 4134226

Structure parameters

• Formula: C124.15 H103.5 Cl8.3 N10 O14 P2
• Calculated formula: C124.15 H103.5 Cl8.3 N10 O14 P2
• Title of publication: Optical Supramolecular Sensing of Creatinine.
• Authors of publication: Sierra, Andrés F; Hernández-Alonso, Daniel; Romero, Miguel Angel; Gonzalez Delgado, Jose Antonio; Pischel, Uwe; Ballester, Pablo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 26.754 ± 0.003 Å
• b: 26.05 ± 0.003 Å
• c: 31.756 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22132 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1286
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.199
• Weighted residual factors for all reflections included in the refinement: 0.2227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.358
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No