Information card for entry 1568002

Structure parameters

• Formula: C13 H16 N2 Ni O6 Pt S4
• Calculated formula: C13 H16 N2 Ni O6 Pt S4
• SMILES: [Pt]1234[Ni](OC(=[S]3)C)([n]3cc(N(=O)=O)ccc3)(OC(=[S]2)C)(OC(=[S]1)C)OC(=[S]4)C
• Title of publication: Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.
• Authors of publication: Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 266 - 276
• a: 8.4782 ± 0.0004 Å
• b: 12.2733 ± 0.0005 Å
• c: 19.6523 ± 0.0008 Å
• α: 90°
• β: 93.668 ± 0.002°
• γ: 90°
• Cell volume: 2040.74 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No