Information card for entry 1519303

Structure parameters

• Formula: C6 H11 Cl0.5 N1.5
• Calculated formula: C6 H11.5 Cl0.5 N1.5
• Title of publication: Pyrrole hemikis(tetramethylammonium chloride)
• Authors of publication: Hursthouse, Michael B.; Gale, Phil A.; Coles, Simon J.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 122
• a: 15.094 ± 0.002 Å
• b: 9.007 ± 0.0012 Å
• c: 10.3253 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1403.7 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No