Information card for entry 4067261

Structure parameters

• Formula: C14 H10 Br2 N2 O7 Os
• Calculated formula: C14 H10 Br2 N2 O7 Os
• SMILES: [Os]1(Br)(Br)([n]2ccc(cc2c2[n]1ccc(c2)C(=O)O)C(=O)O)(C#[O])C#[O].O
• Title of publication: Fragmentation Pathways of [MX2(CO)2(dcbpy)] (M = Ru, Os; X = Cl, Br, I; dcbpy = 2,2′-bipyridine-4,4′-dicarboxylic acid) Complexes
• Authors of publication: Jänis, Janne; Jakonen, Minna; Oresmaa, Larisa; Hirva, Pipsa; Laurila, Elina; Vlasova, Liubov; Vainiotalo, Pirjo; Haukka, Matti
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 5
• Pages of publication: 1070
• a: 6.6047 ± 0.0005 Å
• b: 19.573 ± 0.002 Å
• c: 13.3682 ± 0.0012 Å
• α: 90°
• β: 93.611 ± 0.007°
• γ: 90°
• Cell volume: 1724.7 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No