Information card for entry 4115385

Structure parameters

• Formula: C84 H210 Cu26 P14 Se13
• Calculated formula: C84 H210 Cu26 P14 Se13
• Title of publication: Cluster Synthesis via Ligand-Arrested Solid Growth: Triethylphosphine-Capped Fragments of Binary Metal Chalcogenides
• Authors of publication: Nathan R. M. Crawford; Allan G. Hee; Jeffrey R. Long
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 14842 - 14843
• a: 17.2391 ± 0.0007 Å
• b: 23.4906 ± 0.001 Å
• c: 17.303 ± 0.0012 Å
• α: 90°
• β: 90.305 ± 0.002°
• γ: 90°
• Cell volume: 7006.9 ± 0.6 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.1757
• Residual factor for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections: 0.2745
• Weighted residual factors for significantly intense reflections: 0.2391
• Goodness-of-fit parameter for all reflections: 1.078
• Goodness-of-fit parameter for significantly intense reflections: 1.37
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No