Information card for entry 4309987

Structure parameters

• Formula: C60 H94 Cl4 N20 Ni9 O50
• Calculated formula: C60 H74 Cl4 N20 Ni9 O50
• Title of publication: Self-Assembly of a Nonanuclear Nickel(II) Complex and Its Magnetic Properties
• Authors of publication: Sumit Khanra; Thomas Weyhermüller; Eva Rentschler; Phalguni Chaudhuri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8176 - 8178
• a: 24.704 ± 0.002 Å
• b: 31.015 ± 0.003 Å
• c: 26.032 ± 0.002 Å
• α: 90°
• β: 100.13 ± 0.02°
• γ: 90°
• Cell volume: 19635 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No