Information card for entry 7039749

Structure parameters

• Chemical name: [(dppe)2(CH3CN)Mo(NNCy)][BArF24]
• Formula: C98 H80 B F24 Mo N3 P4
• Calculated formula: C98 H80 B F24 Mo N3 P4
• Title of publication: Thermodynamics of N-H bond formation in bis(phosphine) molybdenum(ii) diazenides and the influence of the trans ligand.
• Authors of publication: Bezdek, Máté J; Chirik, Paul J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 40
• Pages of publication: 15922 - 15930
• a: 18.6804 ± 0.0004 Å
• b: 22.5994 ± 0.0005 Å
• c: 24.3582 ± 0.0005 Å
• α: 113.099 ± 0.001°
• β: 101.116 ± 0.001°
• γ: 90.874 ± 0.001°
• Cell volume: 9234.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No