Information card for entry 4348030

Structure parameters

• Formula: C46 H38 Cl2 N12 O8 Os2
• Calculated formula: C46 H38 Cl2 N12 O8 Os2
• SMILES: [Os]123([n]4c(cccc4)c4[n]1cccc4)([n]1c(c4[n]2cccc4)cccc1)[n]1n([Os]24([n]5c(cccc5)c5[n]2cccc5)([n]2ccccc2c2[n]4cccc2)[n]2n3ccc2)ccc1.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: 10.134 ± 0.007 Å
• b: 14.0076 ± 0.001 Å
• c: 16.941 ± 0.012 Å
• α: 82.37 ± 0.03°
• β: 85.35 ± 0.03°
• γ: 71.88 ± 0.02°
• Cell volume: 2263 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No