Information card for entry 1566132

Structure parameters

• Formula: C16 H34 Cu2 N8 O2 Pt S4
• Calculated formula: C16 H34 Cu2 N8 O2 Pt S4
• SMILES: [Pt](SC#N)(SC#N)(SC#N)SC#N.[Cu]12([N](C)(C)CC[N]1(C)C)[OH][Cu]1([N](C)(C)CC[N]1(C)C)[OH]2
• Title of publication: Magnetostructural characterization of copper(II) hydroxide dimers and coordination polymers coordinated to apical isothiocyanate and cyanide-based counteranions
• Authors of publication: Savard, Didier; Storr, Tim; Leznoff, Daniel B.
• Journal of publication: Canadian Journal of Chemistry
• Year of publication: 2014
• Journal volume: 92
• Journal issue: 10
• Pages of publication: 1021 - 1030
• a: 8.534 ± 0.0003 Å
• b: 9.2598 ± 0.0003 Å
• c: 10.3664 ± 0.0003 Å
• α: 69.455 ± 0.002°
• β: 68.16 ± 0.002°
• γ: 86.479 ± 0.002°
• Cell volume: 709.77 ± 0.04 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.0356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No