Information card for entry 4516920

Structure parameters

• Chemical name: (racemic-ΔΔ,ΛΛ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))mercury(ii) diperchlorate acetonitrile toluene solvate
• Formula: C44.5 H59 Cl2 Hg N9 O8 S4 Zn2
• Calculated formula: C44.5 H59 Cl2 Hg N9 O8 S4 Zn2
• Title of publication: Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn₃ and HgZn₂ Metal Clusters.
• Authors of publication: Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.
• Journal of publication: ACS omega
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 6391 - 6404
• a: 9.59 ± 0.0002 Å
• b: 17.3124 ± 0.0004 Å
• c: 18.5657 ± 0.0005 Å
• α: 109.74 ± 0.001°
• β: 101.536 ± 0.001°
• γ: 101.986 ± 0.001°
• Cell volume: 2713.11 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No