Information card for entry 4301025

Structure parameters

• Formula: C106 H84 Cl4 N6 O12 Os2 P4
• Calculated formula: C106 H84 Cl4 N6 O12 Os2 P4
• SMILES: [P](c1ccccc1)(c1ccccc1)([Os]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([n]3ccccc3N=[N]1c1ccccc1)Oc1c(c3c(c(c1O2)Cl)O[Os]1(O3)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2ccccc2N=[N]1c1ccccc1)Cl)c1ccccc1.c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Variable Coordination Mode of Chloranilic Acid. Synthesis, Structure, and Electrochemical Properties of Some Osmium Complexes
• Authors of publication: Parna Gupta; Anindya Das; Falguni Basuli; Alfonso Castineiras; William S. Sheldrick; Heike Mayer-Figge; Samaresh Bhattacharya
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 2081 - 2088
• a: 12.1895 ± 0.0009 Å
• b: 12.8575 ± 0.0011 Å
• c: 17.0049 ± 0.0013 Å
• α: 88.5 ± 0.01°
• β: 80.518 ± 0.009°
• γ: 70.631 ± 0.009°
• Cell volume: 2478.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No