Information card for entry 7005731

Structure parameters

• Formula: C12 H8 Br2 N2 O2 Os
• Calculated formula: C12 H8 Br2 N2 O2 Os
• SMILES: [Os]1(Br)(Br)([n]2ccccc2c2[n]1cccc2)(C#[O])C#[O]
• Title of publication: An alternative synthesis method for [Os(NN)(CO)(2)X(2)] complexes (NN = 2,2'-bipyridine, 4,4'-dimethyl-2,2'-bipyridine; X = Cl, Br, I). Electrochemical and photochemical properties and behavior.
• Authors of publication: Jakonen, Minna; Hirva, Pipsa; Haukka, Matti; Chardon-Noblat, Sylvie; Lafolet, Frédéric; Chauvin, Jérôme; Deronzier, Alain
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 30
• Pages of publication: 3314 - 3324
• a: 8.2462 ± 0.0004 Å
• b: 6.9197 ± 0.0002 Å
• c: 12.6228 ± 0.0004 Å
• α: 90°
• β: 102.933 ± 0.003°
• γ: 90°
• Cell volume: 702 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No