Information card for entry 1561258

Structure parameters

• Common name: HN063
• Formula: C6 H10 Cl8 Hg3 N4
• Calculated formula: C6 H10 Cl8 Hg3 N4
• SMILES: [Hg]1(Cl)(Cl)[Cl][Hg](Cl)([Cl]1)Cl.[Hg](Cl)Cl.[nH]1cc[nH+]c1.[nH]1cc[nH+]c1
• 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: 6.9115 ± 0.0009 Å
• b: 7.9194 ± 0.0011 Å
• c: 9.9721 ± 0.0013 Å
• α: 100.966 ± 0.002°
• β: 107.393 ± 0.002°
• γ: 102.59 ± 0.002°
• Cell volume: 488.86 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0196
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No