Information card for entry 8105069

Structure parameters

• Formula: C54 H84 Cd3 N6 O12 P6 S12
• Calculated formula: C54 H84 Cd3 N6 O12 P6 S12
• Title of publication: The pseudosymmetric low temperature polymorph of catena-poly[(μ2-4,4′-bipyridyl-κN,N′)-bis(O,O′-diethyldithiophosphato-κS)-cadmium(II)], {C18H28CdN2O4P2S4}n
• 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: 239 - 242
• a: 10.3735 ± 0.0001 Å
• b: 15.2066 ± 0.0002 Å
• c: 26.5231 ± 0.0002 Å
• α: 85.178 ± 0.001°
• β: 81.311 ± 0.001°
• γ: 71.541 ± 0.001°
• Cell volume: 3920.17 ± 0.07 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: 0.0227
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No