Information card for entry 8105098

Structure parameters

• Formula: C28 H45 N5 O6 P2 S4 Zn
• Calculated formula: C28 H45 N5 O6 P2 S4 Zn
• Title of publication: Crystal structure of catena-poly{(μ2-N 1,N 2-bis[(pyridin-4-yl)methyl]ethanediamide-κ2 N:N′)-bis(O,O′-di-isopropyldithiophosphato-κ1 S)zinc(II)} — acetonitrile (1/1), C26H42N4O6P2S4Zn⋅C2H3N
• 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: 327 - 329
• a: 7.7367 ± 0.0001 Å
• b: 21.5637 ± 0.0001 Å
• c: 23.1184 ± 0.0002 Å
• α: 90°
• β: 99.121 ± 0.001°
• γ: 90°
• Cell volume: 3808.12 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0218
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No