Information card for entry 4348029

Structure parameters

• Formula: C43 H35 Cl3 N10 O13 Os2
• Calculated formula: C43 H35 Cl3 N10 O13 Os2
• SMILES: [Os]123(O[Os]45(n6[n]1ccc6)([n]1ccccc1c1[n]5cccc1)[n]1c(c5[n]4cccc5)cccc1)([n]1c(c4[n]3cccc4)cccc1)[n]1c(c3[n]2cccc3)cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Unsymmetric (μ-oxido)/(μ-pyrazolato) and Symmetric (μ-pyrazolato)2 Bridged Diosmium Frameworks: Electronic Structure and Magnetic Properties.
• Authors of publication: Das, Ankita; Ghosh, Prabir; Priego, José Luis; Jiménez-Aparicio, Reyes; Lahiri, Goutam Kumar
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8396 - 8406
• a: 20.693 ± 0.003 Å
• b: 23.662 ± 0.003 Å
• c: 20.977 ± 0.003 Å
• α: 90°
• β: 116.892 ± 0.002°
• γ: 90°
• Cell volume: 9160 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0489
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No