Information card for entry 4320932

Structure parameters

• Formula: C38.5 H56 Cl2 N10 Ni O17
• Calculated formula: C38.5 H56 Cl2 N10 Ni O17
• Title of publication: Crystal Structures and Magnetic Properties of Metal Complexes Bearing Four Nitronyl Nitroxide Moieties in the Same Coordination Sphere
• Authors of publication: Giancarlo Francese; Francisco M. Romero; Antonia Neels; Helen Stoeckli-Evans; Silvio Decurtins
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2087 - 2095
• a: 20.946 ± 0.002 Å
• b: 12.0633 ± 0.0006 Å
• c: 21.1728 ± 0.0016 Å
• α: 90°
• β: 113.554 ± 0.01°
• γ: 90°
• Cell volume: 4904.2 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 0.792
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No