Information card for entry 4306160

Structure parameters

• Formula: C94.04 H148.94 Gd2 Mn2 O25.43 S8
• Calculated formula: C94.042 H102 Gd2 Mn2 O25.432 S8
• Title of publication: A Unique Mn2Gd2 Tetranuclear Compound of p-tert-Butylthiacalix[4]arene
• Authors of publication: Yanfeng Bi; Yanling Li; Wuping Liao; Hongjie Zhang; Deqian Li
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9733 - 9735
• a: 35.358 ± 0.005 Å
• b: 14.627 ± 0.005 Å
• c: 45.311 ± 0.005 Å
• α: 90°
• β: 96.543 ± 0.005°
• γ: 90°
• Cell volume: 23281 ± 9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0714
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No