Information card for entry 7201317

Structure parameters

• Formula: C10 H38 N8 Na2 O19
• Calculated formula: C10 H38 N8 Na2 O19
• Title of publication: Structure and magnetism of a verdazyl radical clathrate hydrate. Strong intermolecular magnetic interactions derived from π-stacking within ice-like channels
• Authors of publication: Gilroy, Joe B.; Lemaire, Martin T.; Patrick, Brian O.; Hicks, Robin G.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 2180
• a: 22.9263 ± 0.0011 Å
• b: 6.4164 ± 0.0004 Å
• c: 20.1881 ± 0.001 Å
• α: 90°
• β: 109.039 ± 0.003°
• γ: 90°
• Cell volume: 2807.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No