Information card for entry 7707192

Structure parameters

• Formula: C8 H24 Br4.73 Cl1.26 Hg2 N2
• Calculated formula: C8 H24 Br4.73 Cl1.27 Hg2 N2
• 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: 7.6895 ± 0.0005 Å
• b: 15.8557 ± 0.0007 Å
• c: 8.957 ± 0.0004 Å
• α: 90°
• β: 93.905 ± 0.005°
• γ: 90°
• Cell volume: 1089.52 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1797
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No