Information card for entry 4119354

Structure parameters

• Formula: C200.5 H210.75 F24 N30.25 Ni4 O30 S8
• Calculated formula: C176.5 H150.75 F23.9998 N30.25 Ni4 O23.9998 S7.99995
• Title of publication: Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates
• Authors of publication: Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 2723 - 2733
• a: 24.581 ± 0.005 Å
• b: 24.581 ± 0.005 Å
• c: 41.33 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 21627 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 190
• Hermann-Mauguin space group symbol: P -6 2 c
• Hall space group symbol: P -6c -2c
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.2713
• Weighted residual factors for all reflections included in the refinement: 0.274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No