Information card for entry 4348469

Structure parameters

• Formula: C20 H34 Cl2 N Na Ni O9 Pt S5
• Calculated formula: C20 H34 Cl2 N Na Ni O9 Pt S5
• SMILES: C1(O[Ni]234(N=C=[S][Na]5678[O]9CC[O]5CC[O]6CC[O]7CC[O]8CC9)OC(=[S][Pt]4([S]=1)([S]=C(O2)C)[S]=C(O3)C)C)C.C(Cl)Cl
• Title of publication: Thiocyanate-Ligated Heterobimetallic {PtM} Lantern Complexes Including a Ferromagnetically Coupled 1D Coordination Polymer.
• Authors of publication: Guillet, Jesse L.; Bhowmick, Indrani; Shores, Matthew P.; Daley, Christopher J. A.; Gembicky, Milan; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 16
• Pages of publication: 8099 - 8109
• a: 11.8679 ± 0.0003 Å
• b: 12.0344 ± 0.0005 Å
• c: 13.1456 ± 0.0004 Å
• α: 75.17 ± 0.0016°
• β: 72.778 ± 0.0013°
• γ: 78.416 ± 0.0016°
• Cell volume: 1717.62 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200.15 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No