Information card for entry 4114019

Structure parameters

• Formula: C78 H112 B3 F12 Li2 N16 Na3 Ni8 O37.5
• Calculated formula: C78.41 H89 B3.02 F12.0803 Li2 N16 Na3 Ni8 O37.16
• Title of publication: Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties
• Authors of publication: Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 9476 - 9483
• a: 16.764 ± 0.002 Å
• b: 20.095 ± 0.002 Å
• c: 20.617 ± 0.002 Å
• α: 81.121 ± 0.002°
• β: 66.353 ± 0.002°
• γ: 67.274 ± 0.002°
• Cell volume: 5868.2 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1744
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No