Information card for entry 1563338

Structure parameters

• Common name: (CuHg(mu-NCS)4)n
• Formula: C4 Cu Hg N4 S4
• Calculated formula: C4 Cu Hg N4 S4
• Title of publication: Dicarboxylate assisted synthesis of the monoclinic heterometallic tetrathiocyanato bridged copper(II) and mercury(II) coordination polymer {Cu[Hg(SCN)4]} : Synthesis, structural, vibration, luminescence, EPR studies and DFT calculations
• Authors of publication: Khandar, Ali Akbar; Klein, Axel; Bakhtiari, Akbar; Mahjoub, Ali Reza; Pohl, Roland W.H.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2011
• Journal volume: 184
• Journal issue: 2
• Pages of publication: 379 - 386
• a: 9.0084 ± 0.0018 Å
• b: 7.6993 ± 0.0019 Å
• c: 15.156 ± 0.002 Å
• α: 90°
• β: 90 ± 0.01°
• γ: 90°
• Cell volume: 1051.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 0.815
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No