Information card for entry 7019219

Structure parameters

• Formula: C26 H22 Mo2 N6 O4
• Calculated formula: C26 H22 Mo2 N6 O4
• SMILES: C(#[O])[Mo]1234(C#[O])([CH2]=[CH]1C2)[n]1ccccc1c1n3[n](cc1)[Mo]123(C#[O])(C#[O])([CH2]=[CH]1C2)[n]1ccccc1c1n3[n]4cc1
• Title of publication: Molybdenum- and tungsten(ii) monometallic 3-(2-pyridyl)pyrazole and bimetallic 3-(2-pyridyl)pyrazolate complexes.
• Authors of publication: Arroyo, Marta; Miguel, Daniel; Villafañe, Fernando; Alegria, Elisabete C. B.; Pombeiro, Armando J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 23
• Pages of publication: 7017 - 7025
• a: 18.316 ± 0.01 Å
• b: 18.316 ± 0.009 Å
• c: 42.269 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12280 ± 9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No