Information card for entry 7208596

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: 8.66982 ± 0.00018 Å
• b: 9.21282 ± 0.00019 Å
• c: 9.26605 ± 0.00019 Å
• α: 92.6113 ± 0.0007°
• β: 116.65 ± 0.0007°
• γ: 113.456 ± 0.0007°
• Cell volume: 583.72 ± 0.02 ų
• Cell temperature: 338 ± 1 K
• Ambient diffraction temperature: 338 ± 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: 0.0393
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No