Information card for entry 4335164

Structure parameters

• Formula: C45 H33 Cl N10 O10 Os2
• Calculated formula: C45 H33 Cl N10 O10 Os2
• SMILES: [Os]123([n]4ccccc4c4[n]1cccc4)([n]1c(c4[n]3cccc4)cccc1)OC(=O)c1c3n([Os]45([n]6c(c7cccc[n]47)cccc6)([n]4c(c6[n]5cccc6)cccc4)OC3=O)c[n]21.O.O.[O-]Cl(=O)(=O)=O
• Title of publication: A Combined Experimental and DFT/TD-DFT Investigation of Structural, Electronic, and Cation-Induced Switching of Photophysical Properties of Bimetallic Ru(II) and Os(II) Complexes Derived from Imidazole-4,5-Dicarboxylic Acid and 2,2'-Bipyridine
• Authors of publication: Shyamal Das; Srikanta Karmakar; Debasish Saha; Sujoy Baitalik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6860 - 6879
• a: 28.7509 ± 0.0009 Å
• b: 14.9598 ± 0.0005 Å
• c: 24.9847 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10746.1 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 0.827
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No