Information card for entry 4114012

Structure parameters

• Formula: C55 H76 Cl2 N12 Ni6 O33 Sr
• Calculated formula: C55 H72 Cl2 N12 Ni6 O33.02 Sr
• 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: 12.469 ± 0.002 Å
• b: 12.469 ± 0.002 Å
• c: 12.778 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1720.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No