Information card for entry 4329104

Structure parameters

• Common name: Gd@C82/NiOEP/1.4benzene/0.6chloroform
• Formula: C127 H53 Cl1.8 Gd N4 Ni
• Calculated formula: C124.72 H50.72 Cl1.8 Gd N4 Ni
• Title of publication: Where Does the Metal Cation Stay in Gd@C2v(9)-C82? A Single-Crystal X-ray Diffraction Study
• Authors of publication: Mitsuaki Suzuki; Xing Lu; Satoru Sato; Hidefumi Nikawa; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5270 - 5273
• a: 25.3645 ± 0.0009 Å
• b: 15.182 ± 0.0006 Å
• c: 19.7167 ± 0.0007 Å
• α: 90°
• β: 94.998 ± 0.002°
• γ: 90°
• Cell volume: 7563.7 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• 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: 0.0778
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No