Information card for entry 7106041

Structure parameters

• Formula: C33 H24 N3 Os
• Calculated formula: C33 H24 N3 Os
• SMILES: [Os]123([n]4c(cccc4)c4c1cccc4)([n]1c(cccc1)c1c2cccc1)[n]1c(cccc1)c1c3cccc1
• Title of publication: Cyclometalated [Os(C~N)x(N~N)3-x]^m+^ Mimetics of Tris(2,2'-bipyridine)osmium(II): Covering a 2 V Potencial Range by knwon (x = 0,1) and new (x = 3) species (C~N = o-2-phenylpiriinato)
• Authors of publication: Ricardo Ceron-Camacho; Simon Hernandez; Ronan Le Lagadec; Alexander D. Ryabov
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 2823
• a: 23.4566 ± 0.001 Å
• b: 23.4566 ± 0.001 Å
• c: 9.1255 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5021 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No