Information card for entry 7241380

Structure parameters

• Formula: C12 H30 Cl14 N4 O4 W6
• Calculated formula: C12 H28 Cl14 N4 O4 W6
• Title of publication: Proton motion inside [(DMF)₂H]₂[W₆Cl₁₄]: structural, Raman and luminescence studies.
• Authors of publication: Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 43
• Pages of publication: 25344 - 25352
• a: 10.6059 ± 0.0003 Å
• b: 10.3846 ± 0.0003 Å
• c: 17.1139 ± 0.0005 Å
• α: 90°
• β: 96.948 ± 0.001°
• γ: 90°
• Cell volume: 1871.05 ± 0.09 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.0429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No