Information card for entry 7112699

Structure parameters

• Formula: C72 H116 Li O4 Si8 V
• Calculated formula: C72 H116 Li O4 Si8 V
• SMILES: C(#Cc1c(cccc1[Si](C)(C)C)[Si](C)(C)C)[V](C#Cc1c(cccc1[Si](C)(C)C)[Si](C)(C)C)(C#Cc1c(cccc1[Si](C)(C)C)[Si](C)(C)C)C#Cc1c(cccc1[Si](C)(C)C)[Si](C)(C)C.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Simple routes to bulky silyl-substituted acetylide ligands and examples of V(III), Fe(II), and Mn(II) complexes.
• Authors of publication: Yee, Gereon M.; Kowolik, Kristin; Manabe, Shuhei; Fettinger, James C.; Berben, Louise A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 42
• Pages of publication: 11680 - 11682
• a: 14.7882 ± 0.0003 Å
• b: 14.7882 ± 0.0003 Å
• c: 38.0825 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8328.3 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No