Information card for entry 5000370

Structure parameters

• Formula: C132 H155 N O8 W2
• Calculated formula: C132 H159 N O8 W2
• 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: 25.421 ± 0.003 Å
• b: 34.611 ± 0.003 Å
• c: 13.1126 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11537 ± 2 ų
• Cell temperature: 106 K
• Ambient diffraction temperature: 106 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No