Information card for entry 8105097

Structure parameters

• Formula: C20 H38 Cd N4 O4 P2 S4
• Calculated formula: C20 H38 Cd N4 O4 P2 S4
• Title of publication: Crystal structure of catena-poly[(μ2-pyrazine-N,N′)-bis(O,O′-di-isopropyldithiophosphato-S,S′)cadmium(II) acetonitrile di-solvate], [C16H32CdN2O4P2S4⋅2(C2H3N)]n
• Authors of publication: Tan, Yee Seng; Tiekink, Edward R.T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 2
• Pages of publication: 323 - 325
• a: 9.6352 ± 0.0002 Å
• b: 11.3986 ± 0.0002 Å
• c: 14.8017 ± 0.0003 Å
• α: 85.713 ± 0.002°
• β: 89.877 ± 0.002°
• γ: 86.048 ± 0.002°
• Cell volume: 1617.23 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0288
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No