Information card for entry 4303936

Structure parameters

• Formula: C56 H48 B Cl6 N9 W2
• Calculated formula: C56 H48 B Cl6 N9 W2
• SMILES: [W]1234(Cl)[n]5ccccc5N1c1[n]([W]56(Cl)(N(c7[n]2cccc7)c2[n]5cccc2)[N]4(c2[n]3cccc2)c2[n]6cccc2)cccc1.ClCCl.ClCCl.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 12.8921 ± 0.0018 Å
• b: 13.561 ± 0.002 Å
• c: 16.281 ± 0.002 Å
• α: 95.344 ± 0.003°
• β: 97.282 ± 0.003°
• γ: 106.848 ± 0.003°
• Cell volume: 2676.8 ± 0.6 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: 0.0549
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No