Information card for entry 4116792

Structure parameters

• Formula: C108 H122 Cl N22 Ni11 O24
• Calculated formula: C108 H122 Cl N22 Ni11 O24
• Title of publication: Nanoscale Cages of Manganese and Nickel with "Rock Salt" Cores
• Authors of publication: Euan K. Brechin; William Clegg; Mark Murrie; Simon Parsons; Simon J. Teat; Richard E. P. Winpenny
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 7365 - 7366
• a: 13.75 ± 0.005 Å
• b: 15.365 ± 0.004 Å
• c: 30.695 ± 0.009 Å
• α: 100.88 ± 0.03°
• β: 90.56 ± 0.04°
• γ: 107.72 ± 0.02°
• Cell volume: 6050 ± 3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.1053
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections: 0.189
• Weighted residual factors for significantly intense reflections: 0.1484
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No