Information card for entry 7700791

Structure parameters

• Formula: C27 H24 Cl2 Mo2 N18 O4
• Calculated formula: C27 H24 Cl2 Mo2 N18 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: 11.2316 ± 0.0004 Å
• b: 11.6355 ± 0.0004 Å
• c: 28.9416 ± 0.001 Å
• α: 90°
• β: 98.1264 ± 0.0015°
• γ: 90°
• Cell volume: 3744.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0953
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No