Information card for entry 5000371

Structure parameters

• Formula: C112 H140 Mo2 N6 O8
• Calculated formula: C112 H127.46 Mo2 N4 O8
• Title of publication: Dinuclear Molybdenum and Tungsten Complexes with Metal-Metal Triple Bonds Supported by p-tert-Butylcalix[4]arene Ligands
• Authors of publication: Malcolm H. Chisholm; Kirsten Folting; William E. Streib; De-Dong Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5219 - 5229
• a: 12.3843 ± 0.0017 Å
• b: 22.13 ± 0.003 Å
• c: 18.621 ± 0.003 Å
• α: 90°
• β: 100.264 ± 0.008°
• γ: 90°
• Cell volume: 5021.7 ± 1.3 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2484
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No