Information card for entry 7208589

Structure parameters

• Common name: morpholinium hydrogen chloranilete
• Formula: C10 H11 Cl2 N O5
• Calculated formula: C10 H11 Cl2 N O5
• Title of publication: Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction.
• Authors of publication: Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 35
• Pages of publication: 12347 - 12354
• a: 8.61998 ± 0.00016 Å
• b: 9.10428 ± 0.00016 Å
• c: 9.1904 ± 0.00017 Å
• α: 91.9088 ± 0.0007°
• β: 116.676 ± 0.0007°
• γ: 114.049 ± 0.0007°
• Cell volume: 567.491 ± 0.019 ų
• Cell temperature: 114 ± 1 K
• Ambient diffraction temperature: 114 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No