Information card for entry 7047091

Structure parameters

• Formula: C64 H58 Mo N3 P5
• Calculated formula: C64 H58 Mo N3 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: 20.2089 ± 0.0004 Å
• b: 10.65052 ± 0.00016 Å
• c: 25.2105 ± 0.0004 Å
• α: 90°
• β: 104.652 ± 0.0019°
• γ: 90°
• Cell volume: 5249.74 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No