Information card for entry 7118735

Structure parameters

• Chemical name: W2(DippF)2Cl4Li
• Formula: C66 H102 Cl4 Li N4 O4 W2
• Calculated formula: C66 H102 Cl4 Li N4 O4 W2
• SMILES: c1(c(cccc1C(C)C)C(C)C)N1[W]2(Cl)(Cl)[N](c3c(cccc3C(C)C)C(C)C)=CN(c3c(cccc3C(C)C)C(C)C)[W]2([N](c2c(cccc2C(C)C)C(C)C)=C1)(Cl)Cl.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Unprecedented W2(0) quadruply bonded complex supported by π-donor ligands.
• Authors of publication: Ventura, K.; Prat, J. R.; Aguirre Quintana, L. M.; Goos, A.; Villagran, D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 20
• Pages of publication: 3974 - 3976
• a: 23.7527 ± 0.0009 Å
• b: 12.0648 ± 0.0005 Å
• c: 25.9809 ± 0.0014 Å
• α: 90°
• β: 113.065 ± 0.001°
• γ: 90°
• Cell volume: 6850.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.1015
• Weighted residual factors for significantly intense reflections: 0.2071
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No