Information card for entry 7700794

Structure parameters

• Formula: C20 H22 Mo2 N14 O4
• Calculated formula: C20 H22 Mo2 N14 O4
• Title of publication: [3 + 2] cycloaddition of azido-bridged molybdenum(ii) complex with nitriles and alkynes.
• Authors of publication: Chen, You-Xuan; Yang, Hsueh-Hui; Lin, Yu-Liang; Hou, Ji-Kuan; Chu, Yong-Jui; Liu, Fu-Chen; Lee, Gene-Hsiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 34
• Pages of publication: 12996 - 13005
• a: 11.1748 ± 0.0007 Å
• b: 11.8254 ± 0.0008 Å
• c: 21.796 ± 0.0015 Å
• α: 90°
• β: 102.626 ± 0.0014°
• γ: 90°
• Cell volume: 2810.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No