Information card for entry 4346891

Structure parameters

• Formula: C54 H39 Cl2 N11 O8 Os
• Calculated formula: C54 H39 Cl2 N11 O8 Os
• SMILES: [Os]123([n]4c(c5[n]1c([nH]c5c1ccccn1)c1ccc(c5cc(c6ccccn6)nc(c5)c5ccccn5)cc1)cccc4)([n]1ccccc1c1cccc[n]31)[n]1ccccc1c1cccc[n]21.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Design of Multichannel Osmium-Based Metalloreceptor for Anions and Cations by Taking Profit from Metal-Ligand Interaction and Construction of Molecular Keypad Lock and Memory Device.
• Authors of publication: Karmakar, Srikanta; Mardanya, Sourav; Pal, Poulami; Baitalik, Sujoy
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 24
• Pages of publication: 11813 - 11825
• a: 19.024 ± 0.0011 Å
• b: 14.9753 ± 0.0008 Å
• c: 20.8994 ± 0.0012 Å
• α: 90°
• β: 95.574 ± 0.002°
• γ: 90°
• Cell volume: 5925.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No