Information card for entry 4104986

Structure parameters

• Formula: C64 H104 Cl3 Li Mo2 N4 O2
• Calculated formula: C64 H104 Cl3 Li Mo2 N4 O2
• Title of publication: Journey from Mo-Mo Quadruple Bonds to Quintuple Bonds
• Authors of publication: Yi-Chou Tsai; Hong-Zhang Chen; Chie-Chieh Chang; Jen-Shiang K. Yu; Gene-Hsiang Lee; Yu Wang; Ting-Shen Kuo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 12534 - 12535
• a: 16.7531 ± 0.0002 Å
• b: 16.9193 ± 0.0002 Å
• c: 23.5981 ± 0.0003 Å
• α: 90°
• β: 100.869 ± 0.0006°
• γ: 90°
• Cell volume: 6568.91 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.083
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No