Information card for entry 7219036

Structure parameters

• Formula: C31 H22 N8 O7 Os
• Calculated formula: C31 H22 N8 O7 Os
• Title of publication: Chemically-driven “molecular logic circuit” based on osmium chromophore with resettable multiple readout
• Authors of publication: Kumar, Anup; Chhatwal, Megha; Gupta, Rinkoo Devi; Awasthi, Satish Kumar
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 9.5534 ± 0.0002 Å
• b: 25.7853 ± 0.0005 Å
• c: 12.6272 ± 0.0003 Å
• α: 90°
• β: 93.47 ± 0.002°
• γ: 90°
• Cell volume: 3104.85 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0306
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No