Information card for entry 7035256

Structure parameters

• Formula: C30 H30 N4 O2 Zn
• Calculated formula: C30 H30 N4 O2 Zn
• SMILES: [Zn]12([N](CCNc3ccccc3)=Cc3c(O1)cccc3)Oc1c(C=[N]2CCNc2ccccc2)cccc1
• Title of publication: X-ray structurally characterized sensors for ratiometric detection of Zn(2+) and Al(3+) in human breast cancer cells (MCF7): development of a binary logic gate as a molecular switch.
• Authors of publication: Ghosh, Abhijit; Das, Debasis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 26
• Pages of publication: 11797 - 11804
• a: 20.9597 ± 0.001 Å
• b: 5.8865 ± 0.0003 Å
• c: 21.8889 ± 0.001 Å
• α: 90°
• β: 104.264 ± 0.005°
• γ: 90°
• Cell volume: 2617.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No