Information card for entry 7205574

Structure parameters

• Formula: C23 H38 N9 O9 S2
• Calculated formula: C23 H38 N9 O9 S2
• SMILES: S(=O)(=O)([O-])c1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1.C(=[NH2+])(N)N.C(=[NH2+])(N)N.O=C1CC([N](=O)C(C1)(C)C)(C)C.O
• 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: 7.2608 ± 0.0003 Å
• b: 23.5817 ± 0.0011 Å
• c: 18.4741 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3163.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No