Information card for entry 1561257

Structure parameters

• Common name: HN072
• Formula: C6 H10 Hg2 I6 N4
• Calculated formula: C6 H10 Hg2 I6 N4
• SMILES: [Hg]([I][Hg](I)(I)I)(I)I.[nH]1cc[nH+]c1.[nH]1c[nH+]cc1
• Title of publication: Synthesis, crystal and electronic structures and optical properties of (HIm)2Hg3Cl8 and (HIm)HgI3 (HIm = imidazolium)
• Authors of publication: Nhalil, Hariharan; Whiteside, Vincent R.; Sellers, Ian R.; Ming, Wenmei; Du, Mao-Hua; Saparov, Bayrammurad
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 258
• Pages of publication: 551 - 558
• a: 8.728 ± 0.009 Å
• b: 16.723 ± 0.018 Å
• c: 14.922 ± 0.016 Å
• α: 90°
• β: 91.05 ± 0.015°
• γ: 90°
• Cell volume: 2178 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No