Information card for entry 7705279

Structure parameters

• Formula: C27 H37 N3 Na2 O4
• Calculated formula: C27 H37 N3 Na2 O4
• Title of publication: Dinitrogen activation by a penta-pyridyl molybdenum complex.
• Authors of publication: Cha, Jeongmin; Kwon, Hyunchul; Song, Hayoung; Lee, Eunsung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 37
• Pages of publication: 12945 - 12949
• a: 14.427 ± 0.005 Å
• b: 18.077 ± 0.01 Å
• c: 11.027 ± 0.004 Å
• α: 90°
• β: 113.285 ± 0.008°
• γ: 90°
• Cell volume: 2642 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No