Information card for entry 7019154

Structure parameters

• Formula: C6 H18 Fe Hg N4 Sb2 Se5
• Calculated formula: C6 H18 Fe Hg N4 Sb2 Se5
• Title of publication: Assembly of novel organic-decorated quaternary TM-Hg-Sb-Q compounds (TM = Mn, Fe, Co; Q = S, Se) by the combination of three types of metal coordination geometries.
• Authors of publication: Wang, Kai-Yao; Zhou, Liu-Jiang; Feng, Mei-Ling; Huang, Xiao-Ying
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 22
• Pages of publication: 6689 - 6695
• a: 7.5282 ± 0.0004 Å
• b: 10.7335 ± 0.0006 Å
• c: 12.5982 ± 0.0008 Å
• α: 69.494 ± 0.005°
• β: 78.655 ± 0.005°
• γ: 86.608 ± 0.004°
• Cell volume: 934.8 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No