Information card for entry 4119358

Structure parameters

• Formula: C332 H308 N68 Ni8 O52
• Calculated formula: C312 H264 N52 Ni8 O12
• 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: 20.554 ± 0.008 Å
• b: 20.554 ± 0.008 Å
• c: 40.27 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17013 ± 13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 112
• Hermann-Mauguin space group symbol: P -4 2 c
• Hall space group symbol: P -4 2c
• Residual factor for all reflections: 0.1612
• Residual factor for significantly intense reflections: 0.1425
• Weighted residual factors for significantly intense reflections: 0.3646
• Weighted residual factors for all reflections included in the refinement: 0.3816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.372
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No