Information card for entry 7049176

Structure parameters

• Formula: C36 H35 B Cl2 F3 Mo N3 O7 P2 S
• Calculated formula: C36 H35 B Cl2 F3 Mo N3 O7 P2 S
• Title of publication: Isolation of ligand-centered borocations in molybdenum complexes containing a triaminoborane-bridged diphosphorus ligand.
• Authors of publication: Lee, Kyounghoon; Kim, Chan Woo; Buckley, Jimmy L.; Vlaisavljevich, Bess; Daly, Scott R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 3777 - 3785
• a: 15.0807 ± 0.0015 Å
• b: 14.2045 ± 0.0014 Å
• c: 19.39 ± 0.0019 Å
• α: 90°
• β: 105.03 ± 0.005°
• γ: 90°
• Cell volume: 4011.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 10
• 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: 0.0462
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No