Information card for entry 8105068

Structure parameters

• Formula: C72 H112 N8 O16 P8 S16 Zn4
• Calculated formula: C72 H112 N8 O16 P8 S16 Zn4
• Title of publication: Crystal structure of a low-temperature (100 K) polymorph of catena-poly[(μ2-4,4′-bipyridine-κ2N,N′)-bis(O,O′-diethyldithiophosphato-κ1S)zinc(II)], C18H28N2O4P2S4Zn
• Authors of publication: Tan, Yee Seng; Tiekink, Edward R.T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 235
• Journal issue: 1
• Pages of publication: 233 - 237
• a: 15.2379 ± 0.0001 Å
• b: 17.3322 ± 0.0002 Å
• c: 21.8829 ± 0.0001 Å
• α: 75.919 ± 0.001°
• β: 78.05 ± 0.001°
• γ: 68.17 ± 0.001°
• Cell volume: 5159.97 ± 0.08 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: 0.0262
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No