Information card for entry 4305902

Structure parameters

• Formula: C102 H194 Br9 La6 N53 O87
• Calculated formula: C102 H101 Br9 La6 N53 O87
• Title of publication: Sandwich-Type Tetranuclear Lanthanide Complexes with Cucurbit[6]uril: From Molecular Compounds to Coordination Polymers
• Authors of publication: Olga A. Gerasko; Ekaterina A. Mainicheva; Marina I. Naumova; Marco Neumaier; Manfred M. Kappes; Sergey Lebedkin; Dieter Fenske; Vladimir P. Fedin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8869 - 8880
• a: 28.64 ± 0.006 Å
• b: 14.509 ± 0.003 Å
• c: 41.545 ± 0.008 Å
• α: 90°
• β: 92.07 ± 0.03°
• γ: 90°
• Cell volume: 17252 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.395
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No