Information card for entry 4114023

Structure parameters

• Formula: C92.5 H150.3 Cl4 N18 Na4 Ni9 O61.65
• Calculated formula: C92.5 H121 Cl4 N18 Na4 Ni9 O61.66
• 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: 17.735 ± 0.004 Å
• b: 27.149 ± 0.005 Å
• c: 28.936 ± 0.006 Å
• α: 90°
• β: 100.22 ± 0.03°
• γ: 90°
• Cell volume: 13711 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No