Information card for entry 4111030

Structure parameters

• Formula: C52 H80 Cl2 Mo2 N4 Si2
• Calculated formula: C52 H80 Cl2 Mo2 N4 Si2
• SMILES: c1(c(C(C)C)cccc1C(C)C)N1[Mo]2(Cl)N(c3c(C(C)C)cccc3C(C)C)[Si](N(c3c(C(C)C)cccc3C(C)C)[Mo]2(N(c2c(C(C)C)cccc2C(C)C)[Si]1(C)C)Cl)(C)C
• Title of publication: A Three-Coordinate and Quadruply Bonded Mo-Mo Complex
• Authors of publication: Yi-Chou Tsai; Yang-Miin Lin; Jen-Shiang K. Yu; Jenn-Kang Hwang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 13980 - 13981
• a: 28.268 ± 0.0006 Å
• b: 35.3567 ± 0.001 Å
• c: 10.8372 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10831.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No