Information card for entry 2211140

Structure parameters

• Chemical name: (2,2'-bipyridine-κ^2^N,N')dibromo-<i>cis</i>-bis[1,1- diphenylhydrazido(2-)]molybdenum(VI)
• Formula: C34 H28 Br2 Mo N6
• Calculated formula: C34 H28 Br2 Mo N6
• SMILES: [Mo]1(Br)(Br)([n]2ccccc2c2[n]1cccc2)(=NN(c1ccccc1)c1ccccc1)=NN(c1ccccc1)c1ccccc1
• Title of publication: Intramolecular π‒π stacking and bromine interactions in (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')dibromo-<i>cis</i>-bis[1,1-diphenylhydrazido(2{-})]molybdenum(VI)
• Authors of publication: Bustos, Carlos; Sánchez, Christian; Schott, Eduardo; Garland, Maria Teresa; Alvarez-Thon, Luis
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3104 - m3106
• a: 9.7449 ± 0.0011 Å
• b: 10.6706 ± 0.0012 Å
• c: 17.883 ± 0.002 Å
• α: 96.731 ± 0.002°
• β: 98.989 ± 0.002°
• γ: 117.028 ± 0.002°
• Cell volume: 1598.2 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes