Information card for entry 4339704

Structure parameters

• Formula: C97 H112 B4 Cu4 N24 O8 S8 W4
• Calculated formula: C97 H112 B4 Cu4 N24 O8 S8 W4
• Title of publication: On the prospects of polynuclear complexes with acetylenedithiolate bridging units.
• Authors of publication: Seidel, Wolfram W.; Meel, Matthias J.; Radius, Udo; Schaffrath, Markus; Pape, Tania
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9616 - 9629
• a: 15.751 ± 0.004 Å
• b: 20.272 ± 0.005 Å
• c: 20.29 ± 0.005 Å
• α: 91.679 ± 0.006°
• β: 110.126 ± 0.005°
• γ: 98.225 ± 0.006°
• Cell volume: 5999 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No