Information card for entry 7707191

Structure parameters

• Formula: C4 H12 Cl0.45 Hg I2.55 N
• Calculated formula: C4 H12 Cl0.445 Hg I2.555 N0.75
• Title of publication: Syntheses, structure and properties of a new series of organic-inorganic Hg-based halides: adjusting halogens resulted in huge performance mutations.
• Authors of publication: Yang, Can; Liu, Xian; Teng, Chunlin; Wu, Qi; Liang, Fei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 22
• Pages of publication: 7563 - 7570
• a: 8.3889 ± 0.0019 Å
• b: 9.4194 ± 0.0017 Å
• c: 16.052 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1268.4 ± 0.4 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 26
• Hermann-Mauguin space group symbol: P m c 21
• Hall space group symbol: P 2c -2
• Residual factor for all reflections: 0.1964
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.2195
• Weighted residual factors for all reflections included in the refinement: 0.2576
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No