Information card for entry 4301026

Structure parameters

• Formula: C53 H41 Cl2 N3 O5 Os P2
• Calculated formula: C53 H41 Cl2 N3 O5 Os P2
• SMILES: [Os]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)(OC3=C(Cl)C(=O)C(=O)C(=C3O1)Cl)[n]1ccccc1N=[N]2c1ccccc1.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: 17.602 ± 0.0017 Å
• b: 13.273 ± 0.0015 Å
• c: 25.176 ± 0.003 Å
• α: 90°
• β: 127.15 ± 0.1°
• γ: 90°
• Cell volume: 4688 ± 6 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 7
• 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: 0.0862
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No