Information card for entry 4344152

Structure parameters

• Formula: C60 H32 F20 N8 Ni
• Calculated formula: C60 H32 F20 N8 Ni
• Title of publication: Coordination-Induced Spin-State Switching with Nickel Chlorin and Nickel Isobacteriochlorin.
• Authors of publication: Dommaschk, Marcel; Thoms, Vanessa; Schütt, Christian; Näther, Christian; Puttreddy, Rakesh; Rissanen, Kari; Herges, Rainer
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 9390 - 9392
• a: 13.8902 ± 0.0006 Å
• b: 14.1867 ± 0.0006 Å
• c: 24.5324 ± 0.0011 Å
• α: 78.967 ± 0.004°
• β: 88.714 ± 0.004°
• γ: 73.607 ± 0.003°
• Cell volume: 4549.5 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1263
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No