Information card for entry 4516919

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: C43.25 H59 Cl2 Hg N11 O8 S4 Zn2
• Calculated formula: C43.25 H59 Cl2 Hg N11 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: 34.6454 ± 0.0015 Å
• b: 14.5668 ± 0.0007 Å
• c: 22.3937 ± 0.001 Å
• α: 90°
• β: 102.175 ± 0.001°
• γ: 90°
• Cell volume: 11047.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0366
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No