Information card for entry 1518085

Structure parameters

• Formula: C52 H56 Br4 Mo2 P4
• Calculated formula: C52 Br4 Mo2 P4
• SMILES: [Mo]12([Mo](Br)(Br)([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Br)Br
• Title of publication: The crystal and molecular structure of beta-Mo2Br4 (bis(diphenylphosphino)ethane)2
• Authors of publication: Agaskar, Pradyot A.; Cotton, F. Albert
• Journal of publication: Revue de Chimie Minerale
• Year of publication: 1985
• Journal volume: 22
• Pages of publication: 302 - 311
• a: 23.349 ± 0.045 Å
• b: 13.296 ± 0.075 Å
• c: 16.91 ± 0.062 Å
• α: 90°
• β: 106.8 ± 0.1°
• γ: 90°
• Cell volume: 5026 ± 4 ų
• Ambient diffraction temperature: 295 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: 0.0761
• Weighted residual factors for significantly intense reflections: 0.0716
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No