Information card for entry 4344821

Structure parameters

• Common name: Gd3N@D2(35)-C88 . Ni(OEP) . 2 toluene
• Formula: C138 H60 Gd3 N5 Ni
• Calculated formula: C138 H60 Gd3 N5 Ni
• Title of publication: Isolation and Crystallographic Characterization of Gd3N@D2(35)-C88 through Non-Chromatographic Methods.
• Authors of publication: Stevenson, Steven; Arvola, Kristine D.; Fahim, Muska; Martin, Benjamin R.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 62
• a: 25.2389 ± 0.0016 Å
• b: 15.3624 ± 0.0009 Å
• c: 20.5877 ± 0.0012 Å
• α: 90°
• β: 94.599 ± 0.003°
• γ: 90°
• Cell volume: 7956.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1101
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.2424
• Weighted residual factors for all reflections included in the refinement: 0.267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No