Information card for entry 7247882

Structure parameters

• Formula: C10 H3.5 Cl0.5 N6.5 O18
• Calculated formula: C8.287 H34.8937 Cl0.77075 N0.5222 O20.2549
• Title of publication: Guest size effects on a robust structure of semiclathrate hydrates and their thermophysical properties.
• Authors of publication: Muromachi, Sanehiro; Takeya, Satoshi
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 3315 - 3321
• a: 23.43538 ± 0.00016 Å
• b: 23.43538 ± 0.00016 Å
• c: 12.3915 ± 0.00013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6805.62 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 81
• Hermann-Mauguin space group symbol: P -4
• Hall space group symbol: P -4
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.2222
• Weighted residual factors for all reflections included in the refinement: 0.2305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No