Information card for entry 7233564

Structure parameters

• Formula: C6 H19 Cl N2 O3
• Calculated formula: C6 H19 Cl N2 O3
• Title of publication: Strong negative thermal expansion and relaxor ferroelectricity driven by supramolecular patterns
• Authors of publication: Marek Szafranski
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2012
• Journal volume: 1
• Pages of publication: 7904 - 7913
• a: 5.313 ± 0.003 Å
• b: 16.988 ± 0.011 Å
• c: 12.159 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1097.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.837 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No