Information card for entry 4322282

Structure parameters

• Common name: Gallium Macrobicyclic TRENSAM
• Formula: C46 H62 Cl Ga N10 O15.3
• Calculated formula: C46 H62 Cl Ga N10 O15.3
• Title of publication: A Novel Salicylate-Based Macrobicycle with a "Split Personality"
• Authors of publication: Seth M. Cohen; Stéphane Petoud; Kenneth N. Raymond
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4522 - 4529
• a: 11.1144 ± 0.0002 Å
• b: 22.8382 ± 0.0004 Å
• c: 19.4525 ± 0.0004 Å
• α: 90°
• β: 99.247 ± 0.001°
• γ: 90°
• Cell volume: 4873.52 ± 0.16 ų
• Cell temperature: 137 ± 2 K
• Ambient diffraction temperature: 137 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections: 0.1551
• Weighted residual factors for significantly intense reflections: 0.1414
• Goodness-of-fit parameter for all reflections: 1.111
• Goodness-of-fit parameter for significantly intense reflections: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No