Information card for entry 7205567

Structure parameters

• Formula: C30 H54 N8 O8 S2
• Calculated formula: C30 H54 N8 O8 S2
• SMILES: C(=[NH2+])(N)N.c1(cc2c(cc1)cc(cc2)S(=O)(=O)[O-])S(=O)(=O)[O-].C1(CCCC([N]1=O)(C)C)(C)C.C(=[NH2+])(N)N.C1(CCCC([N]1=O)(C)C)(C)C
• 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: 12.7246 ± 0.0008 Å
• b: 12.41 ± 0.0008 Å
• c: 24.2921 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3836 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No