Information card for entry 7061002

Structure parameters

• Formula: C80 H104 Cd2 O8 P4 S8
• Calculated formula: C80 H104 Cd2 O8 P4 S8
• Title of publication: Coordination versus spodium bonds in dinuclear Zn(ii) and Cd(ii) complexes with a dithiophosphate ligand
• Authors of publication: Kumar, Pretam; Frontera, Antonio; Pandey, Sushil K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 41
• Pages of publication: 19402 - 19415
• a: 12.083 ± 0.003 Å
• b: 13.084 ± 0.003 Å
• c: 16.602 ± 0.003 Å
• α: 70.284 ± 0.018°
• β: 88.794 ± 0.017°
• γ: 62.94 ± 0.03°
• Cell volume: 2172.7 ± 1.1 ų
• Cell temperature: 150.01 ± 0.15 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1708
• Residual factor for significantly intense reflections: 0.1284
• Weighted residual factors for significantly intense reflections: 0.2987
• Weighted residual factors for all reflections included in the refinement: 0.3939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No