Information card for entry 7239585

Structure parameters

• Formula: C38 H34 Cl2 Cu2 N4 O14
• Calculated formula: C38 H34 Cl2 Cu2 N4 O14
• Title of publication: A cyanide selective off‒on fluorescent chemosensor with in vivo imaging in 100% water: solid probe preferred over in situ generation
• Authors of publication: Das, Sanju; Biswas, Surajit; Mukherjee, Santanu; Bandyopadhyay, Jaya; Samanta, Subhodip; Bhowmick, Indrani; Hazra, Dipak Kumar; Ray, Ambarish; Parui, Partha Pratim
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 19
• Pages of publication: 9656
• a: 7.9894 ± 0.0005 Å
• b: 10.0752 ± 0.0006 Å
• c: 12.0845 ± 0.0006 Å
• α: 98.84 ± 0.002°
• β: 100.429 ± 0.002°
• γ: 94.519 ± 0.002°
• Cell volume: 939.6 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0354
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No