Information card for entry 4303931

Structure parameters

• Common name: W2(dpa)4
• Formula: C40 H32 N12 W2
• Calculated formula: C40 H32 N12 W2
• SMILES: c12cccc[n]2[W]234N(c5[n]([W]62(N1c1ccccn1)([n]1ccccc1N6c1cccc[n]31)[n]1ccccc1N4c1ncccc1)cccc5)c1ncccc1
• Title of publication: Oxidation Chemistry of Axially Protected Mo2 and W2 Quadruply Bonded Compounds
• Authors of publication: Michael Nippe; Eric Victor; John F. Berry
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11889 - 11895
• a: 18.1386 ± 0.0007 Å
• b: 11.5046 ± 0.0004 Å
• c: 16.6777 ± 0.0006 Å
• α: 90°
• β: 101.348 ± 0.003°
• γ: 90°
• Cell volume: 3412.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0551
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No