Information card for entry 7205569

Structure parameters

• Formula: C19.5 H33 N8.5 O7.5 S2
• Calculated formula: C19.5 H33 N8.5 O7.5 S2
• Title of publication: Regulating low-dimensional magnetic behavior of organic radicals in crystalline hydrogen-bonded host frameworks
• Authors of publication: Soegiarto, Airon C.; Yan, Wah; Kent, Andrew D.; Ward, Michael D.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 7
• Pages of publication: 2204
• a: 7.4293 ± 0.0017 Å
• b: 12.136 ± 0.003 Å
• c: 16.373 ± 0.004 Å
• α: 71.479 ± 0.004°
• β: 88.241 ± 0.004°
• γ: 87.373 ± 0.004°
• Cell volume: 1398.1 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No