Information card for entry 4320934

Structure parameters

• Formula: C43 H61.5 Cl2 N12.5 O16 Zn
• Calculated formula: C43 H61.5 Cl2 N12.5 O16 Zn
• 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: 11.4097 ± 0.001 Å
• b: 12.9316 ± 0.0013 Å
• c: 21.609 ± 0.002 Å
• α: 96.037 ± 0.012°
• β: 102.245 ± 0.011°
• γ: 114.983 ± 0.01°
• Cell volume: 2755.1 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No