Information card for entry 4315596

Structure parameters

• Common name: potassium diphenyl-diisopropyl-dithio-imido-diphosphinate
• Formula: C18 H24 K N P2 S2
• Calculated formula: C18 H24 K N P2 S2
• SMILES: [K+].[S-]P(=NP(=S)(c1ccccc1)c1ccccc1)(C(C)C)C(C)C
• Title of publication: Tetrahedral and Square Planar Ni[(SPR2)2N]2 complexes, R = Ph & iPr Revisited: Experimental and Theoretical Analysis of Interconversion Pathways, Structural Preferences, and Spin Delocalization
• Authors of publication: Dimitrios Maganas; Alexios Grigoropoulos; Sarah S. Staniland; Spyros D. Chatziefthimiou; Andrew Harrison; Neil Robertson; Panayotis Kyritsis; Frank Neese
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5079 - 5093
• a: 13.179 ± 0.012 Å
• b: 8.217 ± 0.008 Å
• c: 19.94 ± 0.02 Å
• α: 90°
• β: 105.68 ± 0.02°
• γ: 90°
• Cell volume: 2079 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0796
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1939
• Weighted residual factors for all reflections included in the refinement: 0.2069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.8131 Å
• Diffraction radiation type: SYNCHROTRON
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No