Information card for entry 7118736

Structure parameters

• Chemical name: W2(DippF)2K2
• Formula: C58 H88 K2 N4 O2 W2
• Calculated formula: C58 H88 K2 N4 O2 W2
• SMILES: [W]12[N](c3c(C(C)C)cccc3C(C)C)=CN(c3c(C(C)C)cccc3C(C)C)[W]1[N](c1c(cccc1C(C)C)C(C)C)=CN2c1c(cccc1C(C)C)C(C)C.[K+].[K]([O]1CCCC1)[O](CC)CC
• 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: 10.879 ± 0.002 Å
• b: 13.364 ± 0.003 Å
• c: 23.272 ± 0.005 Å
• α: 96.119 ± 0.006°
• β: 99.34 ± 0.006°
• γ: 105.7 ± 0.006°
• Cell volume: 3173.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.2002
• Weighted residual factors for all reflections included in the refinement: 0.2446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No