Information card for entry 2007027

Structure parameters

• Chemical name: trans-bis(1,2-bis(diphenylphosphino)ethane)-hydroxo-oxo-molybdenum(IV) perchlorate
• Formula: C52 H49 Cl Mo O6 P4
• Calculated formula: C52 H49 Cl Mo O6 P4
• SMILES: [Mo]12([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(=O)O.Cl(=O)(=O)(=O)[O-]
• Title of publication: <i>trans</i>-[Mo(O)(OH)(dppe)~2~]^+^ as its Perchlorate Salt
• Authors of publication: Bendix, Jesper; Bøgevig, Anders
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 206 - 208
• a: 16.825 ± 0.004 Å
• b: 16.658 ± 0.003 Å
• c: 17.162 ± 0.005 Å
• α: 90 ± 0.02°
• β: 102.18 ± 0.02°
• γ: 90 ± 0.02°
• Cell volume: 4702 ± 2 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122 ± 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: 0.0506
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections: 1.035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes