Information card for entry 7047090

Structure parameters

• Formula: C66.6 H65.8 Mo N O0.2 P5
• Calculated formula: C64 H60 Mo N P5
• Title of publication: Synthesis and reactivity of an N-triphos Mo(0) dinitrogen complex.
• Authors of publication: Apps, Samantha L.; White, Andrew J. P.; Miller, Philip W.; Long, Nicholas J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 33
• Pages of publication: 11386 - 11396
• a: 23.2167 ± 0.0003 Å
• b: 18.8351 ± 0.0002 Å
• c: 25.8766 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11315.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No